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

C24H19ClN2O5S — CID 54687793

IUPAC3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C24H19ClN2O5S/c1-14-2-4-15(5-3-14)13-26-23(29)16-6-11-19-20(12-16)27-24(30)22(21(19)28)33(31,32)18-9-7-17(25)8-10-18/h2-12H,13H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyNBCMAKLXTAAHDS-UHFFFAOYSA-N
MW482.95 g/mol
LogP3.96
Rot. Bonds5

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

3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide (PubChem CID 54687793) has the molecular formula C24H19ClN2O5S and a molecular weight of 482.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
PubChem CID54687793
Molecular FormulaC24H19ClN2O5S
Molecular Weight482.95 g/mol
Exact Mass482.07
IUPAC Name3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C24H19ClN2O5S/c1-14-2-4-15(5-3-14)13-26-23(29)16-6-11-19-20(12-16)27-24(30)22(21(19)28)33(31,32)18-9-7-17(25)8-10-18/h2-12H,13H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyNBCMAKLXTAAHDS-UHFFFAOYSA-N
XLogP3.96
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687792
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54687803
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
6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 52905736
3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54720238
4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
CID 54710125
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
3-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27259827

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide (CID 54687793) is 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide is Cc1ccc(CNC(=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)methyl]-2-oxo-1H-quinoline-7-carboxamide?
The InChIKey is NBCMAKLXTAAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5S/c1-14-2-4-15(5-3-14)13-26-23(29)16-6-11-19-20(12-16)27-24(30)22(21(19)28)33(31,32)18-9-7-17(25)8-10-18/h2-12H,13H2,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide?
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide has a molecular weight of 482.95 g/mol, XLogP of 3.96, 5 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)methyl]-2-oxo-1H-quinoline-7-carboxamide is sourced from PubChem (CID 54687793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).