3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide

C23H17ClN2O5S — CID 54687803

IUPAC3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C23H17ClN2O5S/c1-13-2-7-16(8-3-13)25-22(28)14-4-11-18-19(12-14)26-23(29)21(20(18)27)32(30,31)17-9-5-15(24)6-10-17/h2-12H,1H3,(H,25,28)(H2,26,27,29)
InChIKeyRYCWATNYUJATTL-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.28
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide

3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide (PubChem CID 54687803) has the molecular formula C23H17ClN2O5S and a molecular weight of 468.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
PubChem CID54687803
Molecular FormulaC23H17ClN2O5S
Molecular Weight468.92 g/mol
Exact Mass468.05
IUPAC Name3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C23H17ClN2O5S/c1-13-2-7-16(8-3-13)25-22(28)14-4-11-18-19(12-14)26-23(29)21(20(18)27)32(30,31)17-9-5-15(24)6-10-17/h2-12H,1H3,(H,25,28)(H2,26,27,29)
InChIKeyRYCWATNYUJATTL-UHFFFAOYSA-N
XLogP4.28
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687793
3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54720238
3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687792
4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
CID 54710125
N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide
CID 54720180
6-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 53002958
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 29204953
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
CID 54689450

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide (CID 54687803) is 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide is Cc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide?
The InChIKey is RYCWATNYUJATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O5S/c1-13-2-7-16(8-3-13)25-22(28)14-4-11-18-19(12-14)26-23(29)21(20(18)27)32(30,31)17-9-5-15(24)6-10-17/h2-12H,1H3,(H,25,28)(H2,26,27,29).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide?
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide has a molecular weight of 468.92 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide is sourced from PubChem (CID 54687803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).