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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C323H346Cl2N74O36S8 — CID 160582012

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 160582012) has the molecular formula C323H346Cl2N74O36S8 and a molecular weight of 6168.25 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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
• PubChem CID: 160582012
• Molecular Formula: C323H346Cl2N74O36S8
• Molecular Weight: 6168.25 g/mol
• Exact Mass: 6162.47
• 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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
• SMILES: CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.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.COc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.COc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cn1.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)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(NS(C)(=O)=O)c2nc(Nc3ccc(OCCN4CCCC4)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.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1O
• InChI: InChI=1S/C31H35N7O4S.C29H33N7O3S.C29H32N6O2.C28H32N6O3S.C27H29N7O5S.C27H31N7O2S.C27H28N6O4.C27H30N6O3S.C27H30N6O.C26H28N6O3S.C25H22ClN5O4S.C20H16ClN5O2/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;1-19-7-6-8-20(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;1-19-7-6-8-20(2)27(19)22-17-25(30-21(3)36)28-26(18-22)33-34-29(32-28)31-23-9-11-24(12-10-23)37-16-15-35-13-4-5-14-35;1-19-7-6-8-20(2)26(19)21-17-24-27(25(18-21)33-38(3,35)36)30-28(32-31-24)29-22-9-11-23(12-10-22)37-16-15-34-13-4-5-14-34;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;1-19-7-3-4-8-22(19)23-17-25-24(18-26(23)36-2)30-27(32-31-25)29-20-9-11-21(12-10-20)37(34,35)28-13-16-33-14-5-6-15-33;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;1-18-6-2-3-7-21(18)22-16-24-23(17-25(22)33)29-26(31-30-24)28-19-8-10-20(11-9-19)36(34,35)27-12-15-32-13-4-5-14-32;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;1-11-7-12(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/h7-13,18-19H,5-6,14-17H2,1-4H3,(H,32,39)(H,33,34,36);6-12,17-18,30H,4-5,13-16H2,1-3H3,(H,31,37)(H,32,33,35);6-12,17-18H,4-5,13-16H2,1-3H3,(H,30,36)(H,31,32,34);6-12,17-18,33H,4-5,13-16H2,1-3H3,(H,29,30,32);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);3-4,7-12,17-18,28H,5-6,13-16H2,1-2H3,(H,29,30,32);5-11,16-17H,3-4,12-15,28H2,1-2H3,(H,29,30,32);2-3,6-11,16-17,27,33H,4-5,12-15H2,1H3,(H,28,29,31);2-7,12-14,32H,8-11H2,1H3,(H,27,28,30);3-10,27H,1-2H3,(H,23,24,26)
• InChIKey: RBXDVTASENGGJY-UHFFFAOYSA-N
• XLogP: 53.21
• TPSA: 1409.40 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 95
• Rotatable Bonds: 92
• Heavy Atoms: 443
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6168.25
LogP ≤ 5	53.21
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	95

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 160582012) 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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.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.COc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.COc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cn1.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)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(NS(C)(=O)=O)c2nc(Nc3ccc(OCCN4CCCC4)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.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1O.

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?

The InChIKey is RBXDVTASENGGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O4S.C29H33N7O3S.C29H32N6O2.C28H32N6O3S.C27H29N7O5S.C27H31N7O2S.C27H28N6O4.C27H30N6O3S.C27H30N6O.C26H28N6O3S.C25H22ClN5O4S.C20H16ClN5O2/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;1-19-7-6-8-20(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;1-19-7-6-8-20(2)27(19)22-17-25(30-21(3)36)28-26(18-22)33-34-29(32-28)31-23-9-11-24(12-10-23)37-16-15-35-13-4-5-14-35;1-19-7-6-8-20(2)26(19)21-17-24-27(25(18-21)33-38(3,35)36)30-28(32-31-24)29-22-9-11-23(12-10-22)37-16-15-34-13-4-5-14-34;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;1-19-7-3-4-8-22(19)23-17-25-24(18-26(23)36-2)30-27(32-31-25)29-20-9-11-21(12-10-20)37(34,35)28-13-16-33-14-5-6-15-33;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;1-18-6-2-3-7-21(18)22-16-24-23(17-25(22)33)29-26(31-30-24)28-19-8-10-20(11-9-19)36(34,35)27-12-15-32-13-4-5-14-32;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;1-11-7-12(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/h7-13,18-19H,5-6,14-17H2,1-4H3,(H,32,39)(H,33,34,36);6-12,17-18,30H,4-5,13-16H2,1-3H3,(H,31,37)(H,32,33,35);6-12,17-18H,4-5,13-16H2,1-3H3,(H,30,36)(H,31,32,34);6-12,17-18,33H,4-5,13-16H2,1-3H3,(H,29,30,32);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);3-4,7-12,17-18,28H,5-6,13-16H2,1-2H3,(H,29,30,32);5-11,16-17H,3-4,12-15,28H2,1-2H3,(H,29,30,32);2-3,6-11,16-17,27,33H,4-5,12-15H2,1H3,(H,28,29,31);2-7,12-14,32H,8-11H2,1H3,(H,27,28,30);3-10,27H,1-2H3,(H,23,24,26).

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?

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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 6168.25 g/mol, XLogP of 53.21, 92 rotatable bonds, 26 hydrogen bond donors, and 95 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;[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;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;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;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;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 160582012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).