2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide — IUPAC name, SMILES, InChIKey & properties

Name: 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 161273957) has the molecular formula C80H60ClF9N14O17S3 and a molecular weight of 1792.08 g/mol. Its IUPAC name is 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name	2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
PubChem CID	161273957
Molecular Formula	C80H60ClF9N14O17S3
Molecular Weight	1792.08 g/mol
Exact Mass	1790.30
IUPAC Name	2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILES	COc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2.COc1ccc(N)c2ncccc12.COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2N)c2ncccc12.COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ncccc12.COc1ccc([N+](=O)[O-])c2ncccc12.O=[N+]([O-])c1ccc(Cl)c2cccnc12
InChI	InChI=1S/C17H12F3N3O5S.C17H14F3N3O3S.C17H11F3N2O3S.C10H8N2O3.C10H10N2O.C9H5ClN2O2/c1-28-14-6-5-12(16-11(14)3-2-8-21-16)22-29(26,27)15-7-4-10(17(18,19)20)9-13(15)23(24)25;1-26-14-6-5-13(16-11(14)3-2-8-22-16)23-27(24,25)15-7-4-10(9-12(15)21)17(18,19)20;1-25-13-8-12-11-7-9(17(18,19)20)4-5-14(11)26(23,24)22-16(12)15-10(13)3-2-6-21-15;1-15-9-5-4-8(12(13)14)10-7(9)3-2-6-11-10;1-13-9-5-4-8(11)10-7(9)3-2-6-12-10;10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h2-9,22H,1H3;2-9,23H,21H2,1H3;2-8,22H,1H3;2-6H,1H3;2-6H,11H2,1H3;1-5H
InChIKey	VEEPRVDJTOTJRT-UHFFFAOYSA-N
XLogP	18.43
TPSA	443.46 Å²
H-Bond Donors	5
H-Bond Acceptors	25
Rotatable Bonds	14
Heavy Atoms	124
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.08
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The IUPAC name of 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 161273957) is 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

What is the SMILES notation for 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The canonical SMILES for 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is COc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2.COc1ccc(N)c2ncccc12.COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2N)c2ncccc12.COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ncccc12.COc1ccc([N+](=O)[O-])c2ncccc12.O=[N+]([O-])c1ccc(Cl)c2cccnc12.

What is the InChIKey of 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The InChIKey is VEEPRVDJTOTJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O5S.C17H14F3N3O3S.C17H11F3N2O3S.C10H8N2O3.C10H10N2O.C9H5ClN2O2/c1-28-14-6-5-12(16-11(14)3-2-8-21-16)22-29(26,27)15-7-4-10(17(18,19)20)9-13(15)23(24)25;1-26-14-6-5-13(16-11(14)3-2-8-22-16)23-27(24,25)15-7-4-10(9-12(15)21)17(18,19)20;1-25-13-8-12-11-7-9(17(18,19)20)4-5-14(11)26(23,24)22-16(12)15-10(13)3-2-6-21-15;1-15-9-5-4-8(12(13)14)10-7(9)3-2-6-11-10;1-13-9-5-4-8(11)10-7(9)3-2-6-12-10;10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h2-9,22H,1H3;2-9,23H,21H2,1H3;2-8,22H,1H3;2-6H,1H3;2-6H,11H2,1H3;1-5H.

What are the key properties of 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

Where does this data come from?

All data for 2-amino-N-(5-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;5-chloro-8-nitroquinoline;5-methoxy-8-nitroquinoline;5-methoxyquinolin-8-amine;N-(5-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 161273957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).