2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

C97H81ClF4N14O13S6 — CID 159223835

About 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 159223835) has the molecular formula C97H81ClF4N14O13S6 and a molecular weight of 1954.65 g/mol. Its IUPAC name is 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

• Compound Name: 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
• PubChem CID: 159223835
• Molecular Formula: C97H81ClF4N14O13S6
• Molecular Weight: 1954.65 g/mol
• Exact Mass: 1952.41
• IUPAC Name: 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
• SMILES: COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2ncccc2c1.Cc1cc(NS(=O)(=O)c2ccccc2)c2ncccc2c1.Cc1cc(NS(=O)(=O)c2ccccc2)c2ncccc2c1C.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c(N)c1.O=S(=O)(Nc1cc(F)cc2cccnc12)c1ccccc1.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21
• InChI: InChI=1S/C17H17N3O3S.C17H16N2O2S.C16H14ClN3O2S.C16H9F3N2O2S.C16H14N2O2S.C15H11FN2O2S/c1-11-5-6-16(14(18)8-11)24(21,22)20-15-10-13(23-2)9-12-4-3-7-19-17(12)15;1-12-11-16(17-15(13(12)2)9-6-10-18-17)19-22(20,21)14-7-4-3-5-8-14;1-10-4-7-15(13(18)9-10)23(21,22)20-14-6-5-12(17)11-3-2-8-19-16(11)14;17-16(18,19)10-4-6-13-12(8-10)11-5-3-9-2-1-7-20-14(9)15(11)21-24(13,22)23;1-12-10-13-6-5-9-17-16(13)15(11-12)18-21(19,20)14-7-3-2-4-8-14;16-12-9-11-5-4-8-17-15(11)14(10-12)18-21(19,20)13-6-2-1-3-7-13/h3-10,20H,18H2,1-2H3;3-11,19H,1-2H3;2-9,20H,18H2,1H3;1-8,21H;2-11,18H,1H3;1-10,18H
• InChIKey: KSALRLZRJVZBSW-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 415.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1954.65
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The IUPAC name of 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 159223835) is 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

What is the SMILES notation for 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The canonical SMILES for 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2ncccc2c1.Cc1cc(NS(=O)(=O)c2ccccc2)c2ncccc2c1.Cc1cc(NS(=O)(=O)c2ccccc2)c2ncccc2c1C.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c(N)c1.O=S(=O)(Nc1cc(F)cc2cccnc12)c1ccccc1.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21.

What is the InChIKey of 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The InChIKey is KSALRLZRJVZBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S.C17H16N2O2S.C16H14ClN3O2S.C16H9F3N2O2S.C16H14N2O2S.C15H11FN2O2S/c1-11-5-6-16(14(18)8-11)24(21,22)20-15-10-13(23-2)9-12-4-3-7-19-17(12)15;1-12-11-16(17-15(13(12)2)9-6-10-18-17)19-22(20,21)14-7-4-3-5-8-14;1-10-4-7-15(13(18)9-10)23(21,22)20-14-6-5-12(17)11-3-2-8-19-16(11)14;17-16(18,19)10-4-6-13-12(8-10)11-5-3-9-2-1-7-20-14(9)15(11)21-24(13,22)23;1-12-10-13-6-5-9-17-16(13)15(11-12)18-21(19,20)14-7-3-2-4-8-14;16-12-9-11-5-4-8-17-15(11)14(10-12)18-21(19,20)13-6-2-1-3-7-13/h3-10,20H,18H2,1-2H3;3-11,19H,1-2H3;2-9,20H,18H2,1H3;1-8,21H;2-11,18H,1H3;1-10,18H.

What are the key properties of 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 1954.65 g/mol, XLogP of 20.72, 16 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide;2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide;N-(5,6-dimethylquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(6-methylquinolin-8-yl)benzenesulfonamide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 159223835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).