3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide

C24H19ClN2O5S — CID 54687805

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)c1
InChIInChI=1S/C24H19ClN2O5S/c1-13-3-4-14(2)19(11-13)26-23(29)15-5-10-18-20(12-15)27-24(30)22(21(18)28)33(31,32)17-8-6-16(25)7-9-17/h3-12H,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyVSBKADQMZLMVNO-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.59
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide

3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide (PubChem CID 54687805) has the molecular formula C24H19ClN2O5S and a molecular weight of 482.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide
PubChem CID54687805
Molecular FormulaC24H19ClN2O5S
Molecular Weight482.95 g/mol
Exact Mass482.07
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)c1
InChIInChI=1S/C24H19ClN2O5S/c1-13-3-4-14(2)19(11-13)26-23(29)15-5-10-18-20(12-15)27-24(30)22(21(18)28)33(31,32)17-8-6-16(25)7-9-17/h3-12H,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyVSBKADQMZLMVNO-UHFFFAOYSA-N
XLogP4.59
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide (CID 54687805) is 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide?
The InChIKey is VSBKADQMZLMVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5S/c1-13-3-4-14(2)19(11-13)26-23(29)15-5-10-18-20(12-15)27-24(30)22(21(18)28)33(31,32)17-8-6-16(25)7-9-17/h3-12H,1-2H3,(H,26,29)(H2,27,28,30).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide?
3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide has a molecular weight of 482.95 g/mol, XLogP of 4.59, 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-N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-7-carboxamide is sourced from PubChem (CID 54687805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).