N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C23H20Cl2N2O3S — CID 100770361

IUPACN-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3S/c1-15-4-6-19(25)14-21(15)26-23(28)17-5-11-22-16(13-17)3-2-12-27(22)31(29,30)20-9-7-18(24)8-10-20/h4-11,13-14H,2-3,12H2,1H3,(H,26,28)
InChIKeyBMKDWTJMRCZDCA-UHFFFAOYSA-N
MW475.40 g/mol
LogP5.70
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 100770361) has the molecular formula C23H20Cl2N2O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID100770361
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.40 g/mol
Exact Mass474.06
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3S/c1-15-4-6-19(25)14-21(15)26-23(28)17-5-11-22-16(13-17)3-2-12-27(22)31(29,30)20-9-7-18(24)8-10-20/h4-11,13-14H,2-3,12H2,1H3,(H,26,28)
InChIKeyBMKDWTJMRCZDCA-UHFFFAOYSA-N
XLogP5.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670778
N-(5-fluoro-2-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 7602964
N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 100766221
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
1-(4-chlorophenyl)sulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100765733
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3,4-dimethylbenzamide
CID 27510027
1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770223
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 100770361) is N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is BMKDWTJMRCZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S/c1-15-4-6-19(25)14-21(15)26-23(28)17-5-11-22-16(13-17)3-2-12-27(22)31(29,30)20-9-7-18(24)8-10-20/h4-11,13-14H,2-3,12H2,1H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 475.40 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 100770361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).