N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide

C299H302Cl7N71O33S6 — CID 158374099

About N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide

N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide (PubChem CID 158374099) has the molecular formula C299H302Cl7N71O33S6 and a molecular weight of 5858.74 g/mol. Its IUPAC name is N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide
• PubChem CID: 158374099
• Molecular Formula: C299H302Cl7N71O33S6
• Molecular Weight: 5858.74 g/mol
• Exact Mass: 5851.03
• IUPAC Name: N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide
• SMILES: CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(S(=O)(=O)N(CCN4CCCC4)C(C)=O)cc3)nc12.CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.CC(=O)Nc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cn1.COc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cn1.Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(N)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(N(C)C)c3)nc12.Cc1cccc(C)c1-c1cc(N)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1cccc(C)c1-c1cc(N)c2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2c1.Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(Nc3ccc(OCCN4CCCC4)cc3)n[n+]([O-])c2c1.Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)n[n+]([O-])c2c1
• InChI: InChI=1S/C31H35N7O4S.C29H30Cl2N6O4S.C29H33N7O3S.C27H29N7O5S.C27H31N7O2S.C27H28N6O4.C27H30N6O.C25H22ClN5O4S.C22H20ClN5O.C21H17ClN6O2.C20H16ClN5O2.C14H11ClN4O/c1-20-8-7-9-21(2)29(20)24-18-27(32-22(3)39)30-28(19-24)35-36-31(34-30)33-25-10-12-26(13-11-25)43(41,42)38(23(4)40)17-16-37-14-5-6-15-37;1-18-16-19(25-22(30)6-5-7-23(25)31)17-24-26(18)33-27(35-34-24)32-20-8-10-21(11-9-20)42(39,40)37-14-12-36(13-15-37)28(38)41-29(2,3)4;1-19-7-6-8-20(2)27(19)22-17-25(31-21(3)37)28-26(18-22)34-35-29(33-28)32-23-9-11-24(12-10-23)40(38,39)30-13-16-36-14-4-5-15-36;1-18-6-5-7-19(2)25(18)20-16-23-26(24(17-20)34(36)37)30-27(31-33(23)35)29-21-8-10-22(11-9-21)40(38,39)28-12-15-32-13-3-4-14-32;1-18-6-5-7-19(2)25(18)20-16-23(28)26-24(17-20)32-33-27(31-26)30-21-8-10-22(11-9-21)37(35,36)29-12-15-34-13-3-4-14-34;1-18-6-5-7-19(2)25(18)20-16-23-26(24(17-20)33(35)36)29-27(30-32(23)34)28-21-8-10-22(11-9-21)37-15-14-31-12-3-4-13-31;1-18-6-5-7-19(2)25(18)20-16-23(28)26-24(17-20)31-32-27(30-26)29-21-8-10-22(11-9-21)34-15-14-33-12-3-4-13-33;1-15-12-17(20-14-19(32)6-7-21(20)26)13-22-23(15)28-25(30-29-22)27-18-4-2-16(3-5-18)24(33)31-8-10-36(34,35)11-9-31;1-13-9-14(18-12-17(29)7-8-19(18)23)10-20-21(13)25-22(27-26-20)24-15-5-4-6-16(11-15)28(2)3;1-11-7-13(16-9-15(30)4-5-17(16)22)8-18-20(11)26-21(28-27-18)25-14-3-6-19(23-10-14)24-12(2)29;1-11-7-12(15-9-14(27)4-5-16(15)21)8-17-19(11)24-20(26-25-17)23-13-3-6-18(28-2)22-10-13;1-7-4-8(10-6-9(20)2-3-11(10)15)5-12-13(7)17-14(16)19-18-12/h7-13,18-19H,5-6,14-17H2,1-4H3,(H,32,39)(H,33,34,36);5-11,16-17H,12-15H2,1-4H3,(H,32,33,35);6-12,17-18,30H,4-5,13-16H2,1-3H3,(H,31,37)(H,32,33,35);5-11,16-17,28H,3-4,12-15H2,1-2H3,(H,29,30,31);5-11,16-17,29H,3-4,12-15,28H2,1-2H3,(H,30,31,33);5-11,16-17H,3-4,12-15H2,1-2H3,(H,28,29,30);5-11,16-17H,3-4,12-15,28H2,1-2H3,(H,29,30,32);2-7,12-14,32H,8-11H2,1H3,(H,27,28,30);4-12,29H,1-3H3,(H,24,25,27);3-10,30H,1-2H3,(H,23,24,29)(H,25,26,28);3-10,27H,1-2H3,(H,23,24,26);2-6,20H,1H3,(H2,16,17,19)
• InChIKey: GUZDAKSNPGTHBZ-UHFFFAOYSA-N
• XLogP: 53.73
• TPSA: 1367.74 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 90
• Rotatable Bonds: 72
• Heavy Atoms: 416
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5858.74
LogP ≤ 5	53.73
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	90

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide?

The IUPAC name of N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide (CID 158374099) is N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide.

What is the SMILES notation for N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide?

The canonical SMILES for N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide is CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(S(=O)(=O)N(CCN4CCCC4)C(C)=O)cc3)nc12.CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.CC(=O)Nc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cn1.COc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cn1.Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(N)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(N(C)C)c3)nc12.Cc1cccc(C)c1-c1cc(N)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1cccc(C)c1-c1cc(N)c2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2c1.Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(Nc3ccc(OCCN4CCCC4)cc3)n[n+]([O-])c2c1.Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)n[n+]([O-])c2c1.

What is the InChIKey of N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide?

The InChIKey is GUZDAKSNPGTHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O4S.C29H30Cl2N6O4S.C29H33N7O3S.C27H29N7O5S.C27H31N7O2S.C27H28N6O4.C27H30N6O.C25H22ClN5O4S.C22H20ClN5O.C21H17ClN6O2.C20H16ClN5O2.C14H11ClN4O/c1-20-8-7-9-21(2)29(20)24-18-27(32-22(3)39)30-28(19-24)35-36-31(34-30)33-25-10-12-26(13-11-25)43(41,42)38(23(4)40)17-16-37-14-5-6-15-37;1-18-16-19(25-22(30)6-5-7-23(25)31)17-24-26(18)33-27(35-34-24)32-20-8-10-21(11-9-20)42(39,40)37-14-12-36(13-15-37)28(38)41-29(2,3)4;1-19-7-6-8-20(2)27(19)22-17-25(31-21(3)37)28-26(18-22)34-35-29(33-28)32-23-9-11-24(12-10-23)40(38,39)30-13-16-36-14-4-5-15-36;1-18-6-5-7-19(2)25(18)20-16-23-26(24(17-20)34(36)37)30-27(31-33(23)35)29-21-8-10-22(11-9-21)40(38,39)28-12-15-32-13-3-4-14-32;1-18-6-5-7-19(2)25(18)20-16-23(28)26-24(17-20)32-33-27(31-26)30-21-8-10-22(11-9-21)37(35,36)29-12-15-34-13-3-4-14-34;1-18-6-5-7-19(2)25(18)20-16-23-26(24(17-20)33(35)36)29-27(30-32(23)34)28-21-8-10-22(11-9-21)37-15-14-31-12-3-4-13-31;1-18-6-5-7-19(2)25(18)20-16-23(28)26-24(17-20)31-32-27(30-26)29-21-8-10-22(11-9-21)34-15-14-33-12-3-4-13-33;1-15-12-17(20-14-19(32)6-7-21(20)26)13-22-23(15)28-25(30-29-22)27-18-4-2-16(3-5-18)24(33)31-8-10-36(34,35)11-9-31;1-13-9-14(18-12-17(29)7-8-19(18)23)10-20-21(13)25-22(27-26-20)24-15-5-4-6-16(11-15)28(2)3;1-11-7-13(16-9-15(30)4-5-17(16)22)8-18-20(11)26-21(28-27-18)25-14-3-6-19(23-10-14)24-12(2)29;1-11-7-12(15-9-14(27)4-5-16(15)21)8-17-19(11)24-20(26-25-17)23-13-3-6-18(28-2)22-10-13;1-7-4-8(10-6-9(20)2-3-11(10)15)5-12-13(7)17-14(16)19-18-12/h7-13,18-19H,5-6,14-17H2,1-4H3,(H,32,39)(H,33,34,36);5-11,16-17H,12-15H2,1-4H3,(H,32,33,35);6-12,17-18,30H,4-5,13-16H2,1-3H3,(H,31,37)(H,32,33,35);5-11,16-17,28H,3-4,12-15H2,1-2H3,(H,29,30,31);5-11,16-17,29H,3-4,12-15,28H2,1-2H3,(H,30,31,33);5-11,16-17H,3-4,12-15H2,1-2H3,(H,28,29,30);5-11,16-17H,3-4,12-15,28H2,1-2H3,(H,29,30,32);2-7,12-14,32H,8-11H2,1H3,(H,27,28,30);4-12,29H,1-3H3,(H,24,25,27);3-10,30H,1-2H3,(H,23,24,29)(H,25,26,28);3-10,27H,1-2H3,(H,23,24,26);2-6,20H,1H3,(H2,16,17,19).

What are the key properties of N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide?

N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide has a molecular weight of 5858.74 g/mol, XLogP of 53.73, 72 rotatable bonds, 25 hydrogen bond donors, and 90 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[acetyl(2-pyrrolidin-1-ylethyl)sulfamoyl]anilino]-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-5-yl]acetamide;4-[[5-amino-7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol;tert-butyl 4-[4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate;4-chloro-3-[3-[3-(dimethylamino)anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;N-[5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-pyridinyl]acetamide;4-chloro-3-[3-[(6-methoxy-3-pyridinyl)amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-1-ium-3-amine;7-(2,6-dimethylphenyl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-5-yl]acetamide is sourced from PubChem (CID 158374099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).