3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide

C24H20N2O5S — CID 54687792

IUPAC3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C24H20N2O5S/c1-15-7-9-16(10-8-15)14-25-23(28)17-11-12-19-20(13-17)26-24(29)22(21(19)27)32(30,31)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,28)(H2,26,27,29)
InChIKeyNWHREXUHLPHNJM-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.30
Rot. Bonds5

About 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide

3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide (PubChem CID 54687792) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
PubChem CID54687792
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C24H20N2O5S/c1-15-7-9-16(10-8-15)14-25-23(28)17-11-12-19-20(13-17)26-24(29)22(21(19)27)32(30,31)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,28)(H2,26,27,29)
InChIKeyNWHREXUHLPHNJM-UHFFFAOYSA-N
XLogP3.30
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.30
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
N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide
CID 54720180
3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
CID 16745860
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54687803
4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
CID 54710125
3-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27259827
3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one
CID 158349800
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide
CID 134144670
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide (CID 54687792) is 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide?
The InChIKey is NWHREXUHLPHNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-15-7-9-16(10-8-15)14-25-23(28)17-11-12-19-20(13-17)26-24(29)22(21(19)27)32(30,31)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,28)(H2,26,27,29).
What are the key properties of 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide?
3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide is sourced from PubChem (CID 54687792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).