2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

C80H68Cl4N14O19S5 — CID 159447434

IUPAC2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCOc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3N)cccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c(Cl)ccc12.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=[N+]([O-])c1ccccc1S(O)(O)Cl
InChIInChI=1S/C16H12ClN3O5S.C16H14ClN3O3S.C16H15N3O3S.C16H12N2O3S.C10H9ClN2O.C6H6ClNO4S/c1-25-13-8-9-18-15-10(13)6-7-11(17)16(15)19-26(23,24)14-5-3-2-4-12(14)20(21)22;1-23-13-8-9-19-15-10(13)6-7-11(17)16(15)20-24(21,22)14-5-3-2-4-12(14)18;1-22-14-9-10-18-16-11(14)5-4-7-13(16)19-23(20,21)15-8-3-2-6-12(15)17;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;7-13(11,12)6-4-2-1-3-5(6)8(9)10/h2-9,19H,1H3;2-9,20H,18H2,1H3;2-10,19H,17H2,1H3;2-9,18H,1H3;2-5H,12H2,1H3;1-4,11-12H
InChIKeyLSXYVQUCVMIVIK-UHFFFAOYSA-N
MW1831.65 g/mol
LogP17.87
Rot. Bonds17

About 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 159447434) has the molecular formula C80H68Cl4N14O19S5 and a molecular weight of 1831.65 g/mol. Its IUPAC name is 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
PubChem CID159447434
Molecular FormulaC80H68Cl4N14O19S5
Molecular Weight1831.65 g/mol
Exact Mass1828.21
IUPAC Name2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCOc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3N)cccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c(Cl)ccc12.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=[N+]([O-])c1ccccc1S(O)(O)Cl
InChIInChI=1S/C16H12ClN3O5S.C16H14ClN3O3S.C16H15N3O3S.C16H12N2O3S.C10H9ClN2O.C6H6ClNO4S/c1-25-13-8-9-18-15-10(13)6-7-11(17)16(15)19-26(23,24)14-5-3-2-4-12(14)20(21)22;1-23-13-8-9-19-15-10(13)6-7-11(17)16(15)20-24(21,22)14-5-3-2-4-12(14)18;1-22-14-9-10-18-16-11(14)5-4-7-13(16)19-23(20,21)15-8-3-2-6-12(15)17;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;7-13(11,12)6-4-2-1-3-5(6)8(9)10/h2-9,19H,1H3;2-9,20H,18H2,1H3;2-10,19H,17H2,1H3;2-9,18H,1H3;2-5H,12H2,1H3;1-4,11-12H
InChIKeyLSXYVQUCVMIVIK-UHFFFAOYSA-N
XLogP17.87
TPSA500.08 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001831.65
LogP ≤ 517.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

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-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The IUPAC name of 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 159447434) is 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.
What is the SMILES notation for 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The canonical SMILES for 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is COc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3N)cccc12.COc1ccnc2c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c(Cl)ccc12.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=[N+]([O-])c1ccccc1S(O)(O)Cl.
What is the InChIKey of 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The InChIKey is LSXYVQUCVMIVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O5S.C16H14ClN3O3S.C16H15N3O3S.C16H12N2O3S.C10H9ClN2O.C6H6ClNO4S/c1-25-13-8-9-18-15-10(13)6-7-11(17)16(15)19-26(23,24)14-5-3-2-4-12(14)20(21)22;1-23-13-8-9-19-15-10(13)6-7-11(17)16(15)20-24(21,22)14-5-3-2-4-12(14)18;1-22-14-9-10-18-16-11(14)5-4-7-13(16)19-23(20,21)15-8-3-2-6-12(15)17;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;7-13(11,12)6-4-2-1-3-5(6)8(9)10/h2-9,19H,1H3;2-9,20H,18H2,1H3;2-10,19H,17H2,1H3;2-9,18H,1H3;2-5H,12H2,1H3;1-4,11-12H.
What are the key properties of 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 1831.65 g/mol, XLogP of 17.87, 17 rotatable bonds, 9 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)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitrobenzenesulfonamide;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 159447434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).