2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate

C94H72Cl3F5N14O13S6 — CID 161073644

About 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate

2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate (PubChem CID 161073644) has the molecular formula C94H72Cl3F5N14O13S6 and a molecular weight of 1999.45 g/mol. Its IUPAC name is 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate.

Molecular Properties

• Compound Name: 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate
• PubChem CID: 161073644
• Molecular Formula: C94H72Cl3F5N14O13S6
• Molecular Weight: 1999.45 g/mol
• Exact Mass: 1996.27
• IUPAC Name: 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate
• SMILES: Cc1cnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3N)cccc2c1.Cc1cnc2c(NS(=O)(=O)c3ccc(Cl)cc3Cl)cccc2c1.Cc1cnc2c(NS(=O)(=O)c3ccc(Cl)cc3F)cccc2c1.Cc1cnc2c(NS(=O)(=O)c3cccnc3)cccc2c1.O=S(=O)(Nc1cccc2cccnc12)Oc1ccccc1.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(F)ccc21
• InChI: InChI=1S/C17H14F3N3O2S.C16H12Cl2N2O2S.C16H12ClFN2O2S.C15H9FN2O2S.C15H13N3O2S.C15H12N2O3S/c1-10-7-11-3-2-4-14(16(11)22-9-10)23-26(24,25)15-6-5-12(8-13(15)21)17(18,19)20;2*1-10-7-11-3-2-4-14(16(11)19-9-10)20-23(21,22)15-6-5-12(17)8-13(15)18;16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20;1-11-8-12-4-2-6-14(15(12)17-9-11)18-21(19,20)13-5-3-7-16-10-13;18-21(19,20-13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14/h2-9,23H,21H2,1H3;2*2-9,20H,1H3;1-8,18H;2-10,18H,1H3;1-11,17H
• InChIKey: UEZBKEIYWBDLLW-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 402.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1999.45
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	7
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-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate?

The IUPAC name of 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate (CID 161073644) is 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate.

What is the SMILES notation for 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate?

The canonical SMILES for 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate is Cc1cnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3N)cccc2c1.Cc1cnc2c(NS(=O)(=O)c3ccc(Cl)cc3Cl)cccc2c1.Cc1cnc2c(NS(=O)(=O)c3ccc(Cl)cc3F)cccc2c1.Cc1cnc2c(NS(=O)(=O)c3cccnc3)cccc2c1.O=S(=O)(Nc1cccc2cccnc12)Oc1ccccc1.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(F)ccc21.

What is the InChIKey of 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate?

The InChIKey is UEZBKEIYWBDLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S.C16H12Cl2N2O2S.C16H12ClFN2O2S.C15H9FN2O2S.C15H13N3O2S.C15H12N2O3S/c1-10-7-11-3-2-4-14(16(11)22-9-10)23-26(24,25)15-6-5-12(8-13(15)21)17(18,19)20;2*1-10-7-11-3-2-4-14(16(11)19-9-10)20-23(21,22)15-6-5-12(17)8-13(15)18;16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20;1-11-8-12-4-2-6-14(15(12)17-9-11)18-21(19,20)13-5-3-7-16-10-13;18-21(19,20-13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14/h2-9,23H,21H2,1H3;2*2-9,20H,1H3;1-8,18H;2-10,18H,1H3;1-11,17H.

What are the key properties of 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate?

2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate has a molecular weight of 1999.45 g/mol, XLogP of 21.60, 16 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(3-methylquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;4-chloro-2-fluoro-N-(3-methylquinolin-8-yl)benzenesulfonamide;2,4-dichloro-N-(3-methylquinolin-8-yl)benzenesulfonamide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(3-methylquinolin-8-yl)pyridine-3-sulfonamide;phenyl N-quinolin-8-ylsulfamate is sourced from PubChem (CID 161073644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).