3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine

C353H376Cl13N75O33S9 — CID 157191383

IUPAC3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine
SMILESCOc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(C(=O)NCCN5CCCC5)nc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)CCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N(C)CCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N(CCN5CCCC5)C(C)C)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)NCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(OCCN5CCCC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(S(=O)(=O)N5CCN(C)CC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(S(=O)(=O)NCCN(C)C)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(SCCN5CCCC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(OCCN5CCCC5)cc4)nc3cc2C)c1.COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(S(=O)(=O)N(C)CCN5CCCC5)cc4)nc3cc2C)c1
InChIInChI=1S/C30H35ClN6O3S.2C28H31ClN6O3S.C28H30ClN5O3S.C27H28ClN7O2.C27H29ClN6O3S.C27H27ClN6O2.2C27H28ClN5O2.C27H28ClN5OS.2C26H27ClN6O3S.C25H27ClN6O3S/c1-20(2)37(16-15-36-13-5-6-14-36)41(38,39)25-10-7-23(8-11-25)32-30-33-29-21(3)17-22(18-28(29)34-35-30)26-19-24(40-4)9-12-27(26)31;1-19-16-20(24-18-22(38-3)8-11-25(24)29)17-26-27(19)31-28(33-32-26)30-21-6-9-23(10-7-21)39(36,37)34(2)14-15-35-12-4-5-13-35;1-19-16-26-27(18-23(19)24-17-21(38-3)8-11-25(24)29)32-33-28(31-26)30-20-6-9-22(10-7-20)39(36,37)34(2)14-15-35-12-4-5-13-35;1-19-16-20(24-18-22(37-2)8-11-25(24)29)17-26-27(19)31-28(33-32-26)30-21-6-9-23(10-7-21)38(35,36)15-5-14-34-12-3-4-13-34;1-17-13-18(21-15-20(37-2)6-7-22(21)28)14-24-25(17)32-27(34-33-24)31-19-5-8-23(30-16-19)26(36)29-9-12-35-10-3-4-11-35;1-18-15-19(23-17-21(37-2)7-10-24(23)28)16-25-26(18)31-27(33-32-25)30-20-5-8-22(9-6-20)38(35,36)29-11-14-34-12-3-4-13-34;1-17-14-19(22-16-21(36-3)8-9-23(22)28)15-24-25(17)30-27(32-31-24)29-20-6-4-18(5-7-20)26(35)34-12-10-33(2)11-13-34;1-18-15-25-26(17-22(18)23-16-21(34-2)9-10-24(23)28)31-32-27(30-25)29-19-5-7-20(8-6-19)35-14-13-33-11-3-4-12-33;2*1-18-14-19(23-17-21(34-2)8-9-24(23)28)15-25-26(18)30-27(32-31-25)29-20-6-5-7-22(16-20)35-13-12-33-10-3-4-11-33;1-17-14-18(22-16-20(36-3)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)37(34,35)33-12-10-32(2)11-13-33;1-17-13-18(22-16-20(36-3)7-8-23(22)27)14-24-25(17)29-26(31-30-24)28-19-5-4-6-21(15-19)37(34,35)33-11-9-32(2)10-12-33;1-16-12-17(21-15-19(35-4)8-9-22(21)26)13-23-24(16)29-25(31-30-23)28-18-6-5-7-20(14-18)36(33,34)27-10-11-32(2)3/h7-12,17-20H,5-6,13-16H2,1-4H3,(H,32,33,35);2*6-11,16-18H,4-5,12-15H2,1-3H3,(H,30,31,33);6-11,16-18H,3-5,12-15H2,1-2H3,(H,30,31,33);5-8,13-16H,3-4,9-12H2,1-2H3,(H,29,36)(H,31,32,34);5-10,15-17,29H,3-4,11-14H2,1-2H3,(H,30,31,33);4-9,14-16H,10-13H2,1-3H3,(H,29,30,32);5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,30,32);2*5-9,14-17H,3-4,10-13H2,1-2H3,(H,29,30,32);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);4-8,13-16H,9-12H2,1-3H3,(H,28,29,31);5-9,12-15,27H,10-11H2,1-4H3,(H,28,29,31)
InChIKeyAPSVEZJBMKDCLN-UHFFFAOYSA-N
MW6946.88 g/mol
LogP67.29
Rot. Bonds104

About 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine

3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine (PubChem CID 157191383) has the molecular formula C353H376Cl13N75O33S9 and a molecular weight of 6946.88 g/mol. Its IUPAC name is 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine
PubChem CID157191383
Molecular FormulaC353H376Cl13N75O33S9
Molecular Weight6946.88 g/mol
Exact Mass6935.35
IUPAC Name3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine
SMILESCOc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(C(=O)NCCN5CCCC5)nc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)CCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N(C)CCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N(CCN5CCCC5)C(C)C)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)NCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(OCCN5CCCC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(S(=O)(=O)N5CCN(C)CC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(S(=O)(=O)NCCN(C)C)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(SCCN5CCCC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(OCCN5CCCC5)cc4)nc3cc2C)c1.COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(S(=O)(=O)N(C)CCN5CCCC5)cc4)nc3cc2C)c1
InChIInChI=1S/C30H35ClN6O3S.2C28H31ClN6O3S.C28H30ClN5O3S.C27H28ClN7O2.C27H29ClN6O3S.C27H27ClN6O2.2C27H28ClN5O2.C27H28ClN5OS.2C26H27ClN6O3S.C25H27ClN6O3S/c1-20(2)37(16-15-36-13-5-6-14-36)41(38,39)25-10-7-23(8-11-25)32-30-33-29-21(3)17-22(18-28(29)34-35-30)26-19-24(40-4)9-12-27(26)31;1-19-16-20(24-18-22(38-3)8-11-25(24)29)17-26-27(19)31-28(33-32-26)30-21-6-9-23(10-7-21)39(36,37)34(2)14-15-35-12-4-5-13-35;1-19-16-26-27(18-23(19)24-17-21(38-3)8-11-25(24)29)32-33-28(31-26)30-20-6-9-22(10-7-20)39(36,37)34(2)14-15-35-12-4-5-13-35;1-19-16-20(24-18-22(37-2)8-11-25(24)29)17-26-27(19)31-28(33-32-26)30-21-6-9-23(10-7-21)38(35,36)15-5-14-34-12-3-4-13-34;1-17-13-18(21-15-20(37-2)6-7-22(21)28)14-24-25(17)32-27(34-33-24)31-19-5-8-23(30-16-19)26(36)29-9-12-35-10-3-4-11-35;1-18-15-19(23-17-21(37-2)7-10-24(23)28)16-25-26(18)31-27(33-32-25)30-20-5-8-22(9-6-20)38(35,36)29-11-14-34-12-3-4-13-34;1-17-14-19(22-16-21(36-3)8-9-23(22)28)15-24-25(17)30-27(32-31-24)29-20-6-4-18(5-7-20)26(35)34-12-10-33(2)11-13-34;1-18-15-25-26(17-22(18)23-16-21(34-2)9-10-24(23)28)31-32-27(30-25)29-19-5-7-20(8-6-19)35-14-13-33-11-3-4-12-33;2*1-18-14-19(23-17-21(34-2)8-9-24(23)28)15-25-26(18)30-27(32-31-25)29-20-6-5-7-22(16-20)35-13-12-33-10-3-4-11-33;1-17-14-18(22-16-20(36-3)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)37(34,35)33-12-10-32(2)11-13-33;1-17-13-18(22-16-20(36-3)7-8-23(22)27)14-24-25(17)29-26(31-30-24)28-19-5-4-6-21(15-19)37(34,35)33-11-9-32(2)10-12-33;1-16-12-17(21-15-19(35-4)8-9-22(21)26)13-23-24(16)29-25(31-30-23)28-18-6-5-7-20(14-18)36(33,34)27-10-11-32(2)3/h7-12,17-20H,5-6,13-16H2,1-4H3,(H,32,33,35);2*6-11,16-18H,4-5,12-15H2,1-3H3,(H,30,31,33);6-11,16-18H,3-5,12-15H2,1-2H3,(H,30,31,33);5-8,13-16H,3-4,9-12H2,1-2H3,(H,29,36)(H,31,32,34);5-10,15-17,29H,3-4,11-14H2,1-2H3,(H,30,31,33);4-9,14-16H,10-13H2,1-3H3,(H,29,30,32);5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,30,32);2*5-9,14-17H,3-4,10-13H2,1-2H3,(H,29,30,32);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);4-8,13-16H,9-12H2,1-3H3,(H,28,29,31);5-9,12-15,27H,10-11H2,1-4H3,(H,28,29,31)
InChIKeyAPSVEZJBMKDCLN-UHFFFAOYSA-N
XLogP67.29
TPSA1215.35 Ų
H-Bond Donors16
H-Bond Acceptors100
Rotatable Bonds104
Heavy Atoms483
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006946.88
LogP ≤ 567.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 10100

Analyze 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine (CID 157191383) is 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine is COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(C(=O)NCCN5CCCC5)nc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)CCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N(C)CCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N(CCN5CCCC5)C(C)C)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)NCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(OCCN5CCCC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(S(=O)(=O)N5CCN(C)CC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(S(=O)(=O)NCCN(C)C)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(SCCN5CCCC5)c4)nnc3c2)c1.COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(OCCN5CCCC5)cc4)nc3cc2C)c1.COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(S(=O)(=O)N(C)CCN5CCCC5)cc4)nc3cc2C)c1.
What is the InChIKey of 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is APSVEZJBMKDCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN6O3S.2C28H31ClN6O3S.C28H30ClN5O3S.C27H28ClN7O2.C27H29ClN6O3S.C27H27ClN6O2.2C27H28ClN5O2.C27H28ClN5OS.2C26H27ClN6O3S.C25H27ClN6O3S/c1-20(2)37(16-15-36-13-5-6-14-36)41(38,39)25-10-7-23(8-11-25)32-30-33-29-21(3)17-22(18-28(29)34-35-30)26-19-24(40-4)9-12-27(26)31;1-19-16-20(24-18-22(38-3)8-11-25(24)29)17-26-27(19)31-28(33-32-26)30-21-6-9-23(10-7-21)39(36,37)34(2)14-15-35-12-4-5-13-35;1-19-16-26-27(18-23(19)24-17-21(38-3)8-11-25(24)29)32-33-28(31-26)30-20-6-9-22(10-7-20)39(36,37)34(2)14-15-35-12-4-5-13-35;1-19-16-20(24-18-22(37-2)8-11-25(24)29)17-26-27(19)31-28(33-32-26)30-21-6-9-23(10-7-21)38(35,36)15-5-14-34-12-3-4-13-34;1-17-13-18(21-15-20(37-2)6-7-22(21)28)14-24-25(17)32-27(34-33-24)31-19-5-8-23(30-16-19)26(36)29-9-12-35-10-3-4-11-35;1-18-15-19(23-17-21(37-2)7-10-24(23)28)16-25-26(18)31-27(33-32-25)30-20-5-8-22(9-6-20)38(35,36)29-11-14-34-12-3-4-13-34;1-17-14-19(22-16-21(36-3)8-9-23(22)28)15-24-25(17)30-27(32-31-24)29-20-6-4-18(5-7-20)26(35)34-12-10-33(2)11-13-34;1-18-15-25-26(17-22(18)23-16-21(34-2)9-10-24(23)28)31-32-27(30-25)29-19-5-7-20(8-6-19)35-14-13-33-11-3-4-12-33;2*1-18-14-19(23-17-21(34-2)8-9-24(23)28)15-25-26(18)30-27(32-31-25)29-20-6-5-7-22(16-20)35-13-12-33-10-3-4-11-33;1-17-14-18(22-16-20(36-3)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)37(34,35)33-12-10-32(2)11-13-33;1-17-13-18(22-16-20(36-3)7-8-23(22)27)14-24-25(17)29-26(31-30-24)28-19-5-4-6-21(15-19)37(34,35)33-11-9-32(2)10-12-33;1-16-12-17(21-15-19(35-4)8-9-22(21)26)13-23-24(16)29-25(31-30-23)28-18-6-5-7-20(14-18)36(33,34)27-10-11-32(2)3/h7-12,17-20H,5-6,13-16H2,1-4H3,(H,32,33,35);2*6-11,16-18H,4-5,12-15H2,1-3H3,(H,30,31,33);6-11,16-18H,3-5,12-15H2,1-2H3,(H,30,31,33);5-8,13-16H,3-4,9-12H2,1-2H3,(H,29,36)(H,31,32,34);5-10,15-17,29H,3-4,11-14H2,1-2H3,(H,30,31,33);4-9,14-16H,10-13H2,1-3H3,(H,29,30,32);5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,30,32);2*5-9,14-17H,3-4,10-13H2,1-2H3,(H,29,30,32);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);4-8,13-16H,9-12H2,1-3H3,(H,28,29,31);5-9,12-15,27H,10-11H2,1-4H3,(H,28,29,31).
What are the key properties of 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine?
3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 6946.88 g/mol, XLogP of 67.29, 104 rotatable bonds, 16 hydrogen bond donors, and 100 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;5-[[7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-6-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-1,2,4-benzotriazin-3-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 157191383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).