2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride

C85H61Cl4F15N14O19S5 — CID 158159728

About 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride

2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 158159728) has the molecular formula C85H61Cl4F15N14O19S5 and a molecular weight of 2169.62 g/mol. Its IUPAC name is 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

• Compound Name: 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride
• PubChem CID: 158159728
• Molecular Formula: C85H61Cl4F15N14O19S5
• Molecular Weight: 2169.62 g/mol
• Exact Mass: 2166.14
• IUPAC Name: 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride
• SMILES: COc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3N)cccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)ccc12.COc1ccnc2c3c(ccc12)-c1cc(C(F)(F)F)ccc1S(=O)(=O)N3.O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Cl
• InChI: InChI=1S/C17H11ClF3N3O5S.C17H13ClF3N3O3S.C17H14F3N3O3S.C17H11F3N2O3S.C10H9ClN2O.C7H3ClF3NO4S/c1-29-13-6-7-22-15-10(13)3-4-11(18)16(15)23-30(27,28)14-5-2-9(17(19,20)21)8-12(14)24(25)26;1-27-13-6-7-23-15-10(13)3-4-11(18)16(15)24-28(25,26)14-5-2-9(8-12(14)22)17(19,20)21;1-26-14-7-8-22-16-11(14)3-2-4-13(16)23-27(24,25)15-6-5-10(9-12(15)21)17(18,19)20;1-25-13-6-7-21-15-11(13)4-3-10-12-8-9(17(18,19)20)2-5-14(12)26(23,24)22-16(10)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h2-8,23H,1H3;2-8,24H,22H2,1H3;2-9,23H,21H2,1H3;2-8,22H,1H3;2-5H,12H2,1H3;1-3H
• InChIKey: FWCVLMDTIKBLGQ-UHFFFAOYSA-N
• XLogP: 21.63
• TPSA: 493.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.62
LogP ≤ 5	21.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride?

The IUPAC name of 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride (CID 158159728) is 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride.

What is the SMILES notation for 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride?

The canonical SMILES for 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride is COc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3N)cccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)ccc12.COc1ccnc2c3c(ccc12)-c1cc(C(F)(F)F)ccc1S(=O)(=O)N3.O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Cl.

What is the InChIKey of 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride?

The InChIKey is FWCVLMDTIKBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O5S.C17H13ClF3N3O3S.C17H14F3N3O3S.C17H11F3N2O3S.C10H9ClN2O.C7H3ClF3NO4S/c1-29-13-6-7-22-15-10(13)3-4-11(18)16(15)23-30(27,28)14-5-2-9(17(19,20)21)8-12(14)24(25)26;1-27-13-6-7-23-15-10(13)3-4-11(18)16(15)24-28(25,26)14-5-2-9(8-12(14)22)17(19,20)21;1-26-14-7-8-22-16-11(14)3-2-4-13(16)23-27(24,25)15-6-5-10(9-12(15)21)17(18,19)20;1-25-13-6-7-21-15-11(13)4-3-10-12-8-9(17(18,19)20)2-5-14(12)26(23,24)22-16(10)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h2-8,23H,1H3;2-8,24H,22H2,1H3;2-9,23H,21H2,1H3;2-8,22H,1H3;2-5H,12H2,1H3;1-3H.

What are the key properties of 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride?

2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 2169.62 g/mol, XLogP of 21.63, 17 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 158159728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).