4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C282H287Cl12N81O26S6 — CID 158894467

About 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 158894467) has the molecular formula C282H287Cl12N81O26S6 and a molecular weight of 5844.78 g/mol. Its IUPAC name is 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
• PubChem CID: 158894467
• Molecular Formula: C282H287Cl12N81O26S6
• Molecular Weight: 5844.78 g/mol
• Exact Mass: 5834.82
• IUPAC Name: 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
• SMILES: Cc1cc(-c2cc(N)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)NCCN4CCCC4)nc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3nc(C(=O)NCCN4CCCC4)cs3)nc12.Cc1cc(-c2cc([N+](=O)[O-])ccc2Cl)cc2nnc(N)nc12.Cc1cc(-c2cc([N+](=O)[O-])ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cccc(NS(C)(=O)=O)c2)cc2nnc(N)nc12.Cc1cc(-c2cccc(NS(C)(=O)=O)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1nc(Nc2nnc3cc(-c4c(Cl)cccc4Cl)cc(C)c3n2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2nnc3cc(-c4c(Cl)cccc4Cl)cc(C)c3n2)cc(OCCN2CCCC2)n1.Cc1nc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc(OCCN2CCCC2)n1.Oc1ccc(Cl)c(-c2cc(OCCN3CCCC3)c3nc(Nc4cccnc4)nnc3c2)c1
• InChI: InChI=1S/C27H31N7O4S2.C26H26ClN7O4S.C26H28ClN7O2S.C26H26ClN7O2.C25H26Cl2N8O.C25H25Cl2N7O.C25H27ClN8O2.C25H26ClN7O2.C24H24ClN7O2S.C24H23ClN6O2.C15H15N5O2S.C14H10ClN5O2/c1-19-16-21(20-6-5-7-23(17-20)33-39(2,35)36)18-25-26(19)30-27(32-31-25)29-22-8-10-24(11-9-22)40(37,38)28-12-15-34-13-3-4-14-34;1-17-14-18(22-16-20(34(35)36)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)39(37,38)28-10-13-33-11-2-3-12-33;1-17-14-18(22-16-19(28)4-9-23(22)27)15-24-25(17)31-26(33-32-24)30-20-5-7-21(8-6-20)37(35,36)29-10-13-34-11-2-3-12-34;1-16-12-17(20-14-19(35)5-6-21(20)27)13-23-24(16)31-26(33-32-23)30-18-4-7-22(29-15-18)25(36)28-8-11-34-9-2-3-10-34;1-15-12-17(23-18(26)4-3-5-19(23)27)13-20-24(15)31-25(33-32-20)30-21-14-22(29-16(2)28-21)35-8-6-34(7-9-35)10-11-36;1-15-12-17(23-18(26)6-5-7-19(23)27)13-20-24(15)31-25(33-32-20)30-21-14-22(29-16(2)28-21)35-11-10-34-8-3-4-9-34;1-15-11-17(19-13-18(36)3-4-20(19)26)12-21-24(15)30-25(32-31-21)29-22-14-23(28-16(2)27-22)34-7-5-33(6-8-34)9-10-35;1-15-11-17(19-13-18(34)5-6-20(19)26)12-21-24(15)30-25(32-31-21)29-22-14-23(28-16(2)27-22)35-10-9-33-7-3-4-8-33;1-14-10-15(17-12-16(33)4-5-18(17)25)11-19-21(14)28-23(31-30-19)29-24-27-20(13-35-24)22(34)26-6-9-32-7-2-3-8-32;25-20-6-5-18(32)14-19(20)16-12-21-23(22(13-16)33-11-10-31-8-1-2-9-31)28-24(30-29-21)27-17-4-3-7-26-15-17;1-9-6-11(8-13-14(9)17-15(16)19-18-13)10-4-3-5-12(7-10)20-23(2,21)22;1-7-4-8(5-12-13(7)17-14(16)19-18-12)10-6-9(20(21)22)2-3-11(10)15/h5-11,16-18,28,33H,3-4,12-15H2,1-2H3,(H,29,30,32);4-9,14-16,28H,2-3,10-13H2,1H3,(H,29,30,32);4-9,14-16,29H,2-3,10-13,28H2,1H3,(H,30,31,33);4-7,12-15,35H,2-3,8-11H2,1H3,(H,28,36)(H,30,31,33);3-5,12-14,36H,6-11H2,1-2H3,(H,28,29,30,31,33);5-7,12-14H,3-4,8-11H2,1-2H3,(H,28,29,30,31,33);3-4,11-14,35-36H,5-10H2,1-2H3,(H,27,28,29,30,32);5-6,11-14,34H,3-4,7-10H2,1-2H3,(H,27,28,29,30,32);4-5,10-13,33H,2-3,6-9H2,1H3,(H,26,34)(H,27,28,29,31);3-7,12-15,32H,1-2,8-11H2,(H,27,28,30);3-8,20H,1-2H3,(H2,16,17,19);2-6H,1H3,(H2,16,17,19)
• InChIKey: JEQVJUYHXARPBN-UHFFFAOYSA-N
• XLogP: 48.87
• TPSA: 1387.70 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 99
• Rotatable Bonds: 79
• Heavy Atoms: 407
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5844.78
LogP ≤ 5	48.87
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	99

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?

The IUPAC name of 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 158894467) is 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

What is the SMILES notation for 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?

The canonical SMILES for 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cc(-c2cc(N)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)NCCN4CCCC4)nc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3nc(C(=O)NCCN4CCCC4)cs3)nc12.Cc1cc(-c2cc([N+](=O)[O-])ccc2Cl)cc2nnc(N)nc12.Cc1cc(-c2cc([N+](=O)[O-])ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cccc(NS(C)(=O)=O)c2)cc2nnc(N)nc12.Cc1cc(-c2cccc(NS(C)(=O)=O)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1nc(Nc2nnc3cc(-c4c(Cl)cccc4Cl)cc(C)c3n2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2nnc3cc(-c4c(Cl)cccc4Cl)cc(C)c3n2)cc(OCCN2CCCC2)n1.Cc1nc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc(OCCN2CCCC2)n1.Oc1ccc(Cl)c(-c2cc(OCCN3CCCC3)c3nc(Nc4cccnc4)nnc3c2)c1.

What is the InChIKey of 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?

The InChIKey is JEQVJUYHXARPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O4S2.C26H26ClN7O4S.C26H28ClN7O2S.C26H26ClN7O2.C25H26Cl2N8O.C25H25Cl2N7O.C25H27ClN8O2.C25H26ClN7O2.C24H24ClN7O2S.C24H23ClN6O2.C15H15N5O2S.C14H10ClN5O2/c1-19-16-21(20-6-5-7-23(17-20)33-39(2,35)36)18-25-26(19)30-27(32-31-25)29-22-8-10-24(11-9-22)40(37,38)28-12-15-34-13-3-4-14-34;1-17-14-18(22-16-20(34(35)36)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)39(37,38)28-10-13-33-11-2-3-12-33;1-17-14-18(22-16-19(28)4-9-23(22)27)15-24-25(17)31-26(33-32-24)30-20-5-7-21(8-6-20)37(35,36)29-10-13-34-11-2-3-12-34;1-16-12-17(20-14-19(35)5-6-21(20)27)13-23-24(16)31-26(33-32-23)30-18-4-7-22(29-15-18)25(36)28-8-11-34-9-2-3-10-34;1-15-12-17(23-18(26)4-3-5-19(23)27)13-20-24(15)31-25(33-32-20)30-21-14-22(29-16(2)28-21)35-8-6-34(7-9-35)10-11-36;1-15-12-17(23-18(26)6-5-7-19(23)27)13-20-24(15)31-25(33-32-20)30-21-14-22(29-16(2)28-21)35-11-10-34-8-3-4-9-34;1-15-11-17(19-13-18(36)3-4-20(19)26)12-21-24(15)30-25(32-31-21)29-22-14-23(28-16(2)27-22)34-7-5-33(6-8-34)9-10-35;1-15-11-17(19-13-18(34)5-6-20(19)26)12-21-24(15)30-25(32-31-21)29-22-14-23(28-16(2)27-22)35-10-9-33-7-3-4-8-33;1-14-10-15(17-12-16(33)4-5-18(17)25)11-19-21(14)28-23(31-30-19)29-24-27-20(13-35-24)22(34)26-6-9-32-7-2-3-8-32;25-20-6-5-18(32)14-19(20)16-12-21-23(22(13-16)33-11-10-31-8-1-2-9-31)28-24(30-29-21)27-17-4-3-7-26-15-17;1-9-6-11(8-13-14(9)17-15(16)19-18-13)10-4-3-5-12(7-10)20-23(2,21)22;1-7-4-8(5-12-13(7)17-14(16)19-18-12)10-6-9(20(21)22)2-3-11(10)15/h5-11,16-18,28,33H,3-4,12-15H2,1-2H3,(H,29,30,32);4-9,14-16,28H,2-3,10-13H2,1H3,(H,29,30,32);4-9,14-16,29H,2-3,10-13,28H2,1H3,(H,30,31,33);4-7,12-15,35H,2-3,8-11H2,1H3,(H,28,36)(H,30,31,33);3-5,12-14,36H,6-11H2,1-2H3,(H,28,29,30,31,33);5-7,12-14H,3-4,8-11H2,1-2H3,(H,28,29,30,31,33);3-4,11-14,35-36H,5-10H2,1-2H3,(H,27,28,29,30,32);5-6,11-14,34H,3-4,7-10H2,1-2H3,(H,27,28,29,30,32);4-5,10-13,33H,2-3,6-9H2,1H3,(H,26,34)(H,27,28,29,31);3-7,12-15,32H,1-2,8-11H2,(H,27,28,30);3-8,20H,1-2H3,(H2,16,17,19);2-6H,1H3,(H2,16,17,19).

What are the key properties of 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?

4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 5844.78 g/mol, XLogP of 48.87, 79 rotatable bonds, 27 hydrogen bond donors, and 99 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-(5-amino-2-chlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)phenyl]methanesulfonamide;4-chloro-3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;5-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;2-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;4-chloro-3-[5-methyl-3-[[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]-1,2,4-benzotriazin-7-yl]phenol;7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(2-chloro-5-nitrophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-(pyridin-3-ylamino)-5-(2-pyrrolidin-1-ylethoxy)-1,2,4-benzotriazin-7-yl]phenol;2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol;7-(2,6-dichlorophenyl)-5-methyl-N-[2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]-1,2,4-benzotriazin-3-amine;4-[[7-[3-(methanesulfonamido)phenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 158894467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).