2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide

C96H71Cl5F8N14O14S6 — CID 161058963

IUPAC2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12.COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2N)c2ncccc2c1.Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)c1c(Cl)cccc1Cl.O=S(=O)(Nc1cccc2cccnc12)c1c(F)cccc1F.O=S(=O)(Nc1cccc2cccnc12)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H14F3N3O3S.C17H14F3N3O3S.C16H13ClN2O2S.2C15H10Cl2N2O2S.C15H10F2N2O2S/c1-11(25)23-15-10-13(18(19,20)21)7-8-16(15)28(26,27)24-14-6-2-4-12-5-3-9-22-17(12)14;1-26-12-7-10-3-2-6-22-16(10)14(9-12)23-27(24,25)15-5-4-11(8-13(15)21)17(18,19)20;1-11-13(17)7-3-9-15(11)22(20,21)19-14-8-2-5-12-6-4-10-18-16(12)14;16-11-6-2-7-12(17)15(11)22(20,21)19-13-8-1-4-10-5-3-9-18-14(10)13;16-11-6-2-8-13(14(11)17)22(20,21)19-12-7-1-4-10-5-3-9-18-15(10)12;16-11-6-2-7-12(17)15(11)22(20,21)19-13-8-1-4-10-5-3-9-18-14(10)13/h2-10,24H,1H3,(H,23,25);2-9,23H,21H2,1H3;2-10,19H,1H3;3*1-9,19H
InChIKeyUDDFXDDKBPTWPN-UHFFFAOYSA-N
MW2166.36 g/mol
LogP23.65
Rot. Bonds20

About 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide

2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 161058963) has the molecular formula C96H71Cl5F8N14O14S6 and a molecular weight of 2166.36 g/mol. Its IUPAC name is 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID161058963
Molecular FormulaC96H71Cl5F8N14O14S6
Molecular Weight2166.36 g/mol
Exact Mass2162.19
IUPAC Name2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12.COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2N)c2ncccc2c1.Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)c1c(Cl)cccc1Cl.O=S(=O)(Nc1cccc2cccnc12)c1c(F)cccc1F.O=S(=O)(Nc1cccc2cccnc12)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H14F3N3O3S.C17H14F3N3O3S.C16H13ClN2O2S.2C15H10Cl2N2O2S.C15H10F2N2O2S/c1-11(25)23-15-10-13(18(19,20)21)7-8-16(15)28(26,27)24-14-6-2-4-12-5-3-9-22-17(12)14;1-26-12-7-10-3-2-6-22-16(10)14(9-12)23-27(24,25)15-5-4-11(8-13(15)21)17(18,19)20;1-11-13(17)7-3-9-15(11)22(20,21)19-14-8-2-5-12-6-4-10-18-16(12)14;16-11-6-2-7-12(17)15(11)22(20,21)19-13-8-1-4-10-5-3-9-18-14(10)13;16-11-6-2-8-13(14(11)17)22(20,21)19-12-7-1-4-10-5-3-9-18-15(10)12;16-11-6-2-7-12(17)15(11)22(20,21)19-13-8-1-4-10-5-3-9-18-14(10)13/h2-10,24H,1H3,(H,23,25);2-9,23H,21H2,1H3;2-10,19H,1H3;3*1-9,19H
InChIKeyUDDFXDDKBPTWPN-UHFFFAOYSA-N
XLogP23.65
TPSA418.71 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002166.36
LogP ≤ 523.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

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
4-chloro-2-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide;3-chloro-2-fluoro-N-quinolin-8-ylbenzenesulfonamide;N-(5-chloroquinolin-8-yl)pyridine-3-sulfonamide;2,4-dichloro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide;N-(6-methoxyquinolin-8-yl)pyridine-3-sulfonamide;2-methyl-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]propanamide
CID 159790020
4-chloro-2-fluoro-N-(6-fluoroquinolin-8-yl)benzenesulfonamide;2,6-difluoro-N-(6-fluoroquinolin-8-yl)benzenesulfonamide;N-(5,6-difluoroquinolin-8-yl)benzenesulfonamide;N-(6-ethoxyquinolin-8-yl)benzenesulfonamide;N-(6-fluoroquinolin-8-yl)pyridine-3-sulfonamide;N-[6-(trifluoromethoxy)quinolin-8-yl]benzenesulfonamide
CID 162231959
4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide
CID 158658597
2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 159506325

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide (CID 161058963) is 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12.COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2N)c2ncccc2c1.Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)c1c(Cl)cccc1Cl.O=S(=O)(Nc1cccc2cccnc12)c1c(F)cccc1F.O=S(=O)(Nc1cccc2cccnc12)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UDDFXDDKBPTWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S.C17H14F3N3O3S.C16H13ClN2O2S.2C15H10Cl2N2O2S.C15H10F2N2O2S/c1-11(25)23-15-10-13(18(19,20)21)7-8-16(15)28(26,27)24-14-6-2-4-12-5-3-9-22-17(12)14;1-26-12-7-10-3-2-6-22-16(10)14(9-12)23-27(24,25)15-5-4-11(8-13(15)21)17(18,19)20;1-11-13(17)7-3-9-15(11)22(20,21)19-14-8-2-5-12-6-4-10-18-16(12)14;16-11-6-2-7-12(17)15(11)22(20,21)19-13-8-1-4-10-5-3-9-18-14(10)13;16-11-6-2-8-13(14(11)17)22(20,21)19-12-7-1-4-10-5-3-9-18-15(10)12;16-11-6-2-7-12(17)15(11)22(20,21)19-13-8-1-4-10-5-3-9-18-14(10)13/h2-10,24H,1H3,(H,23,25);2-9,23H,21H2,1H3;2-10,19H,1H3;3*1-9,19H.
What are the key properties of 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 2166.36 g/mol, XLogP of 23.65, 20 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;3-chloro-2-methyl-N-quinolin-8-ylbenzenesulfonamide;2,3-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-dichloro-N-quinolin-8-ylbenzenesulfonamide;2,6-difluoro-N-quinolin-8-ylbenzenesulfonamide;N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 161058963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).