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

C22H15ClN2O5S — CID 54687796

IUPAC3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H15ClN2O5S/c23-14-7-9-16(10-8-14)31(29,30)20-19(26)17-11-6-13(12-18(17)25-22(20)28)21(27)24-15-4-2-1-3-5-15/h1-12H,(H,24,27)(H2,25,26,28)
InChIKeyOMADXMIGQIYSGW-UHFFFAOYSA-N
MW454.89 g/mol
LogP3.97
Rot. Bonds4

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

3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide (PubChem CID 54687796) has the molecular formula C22H15ClN2O5S and a molecular weight of 454.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide
PubChem CID54687796
Molecular FormulaC22H15ClN2O5S
Molecular Weight454.89 g/mol
Exact Mass454.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H15ClN2O5S/c23-14-7-9-16(10-8-14)31(29,30)20-19(26)17-11-6-13(12-18(17)25-22(20)28)21(27)24-15-4-2-1-3-5-15/h1-12H,(H,24,27)(H2,25,26,28)
InChIKeyOMADXMIGQIYSGW-UHFFFAOYSA-N
XLogP3.97
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 53.97
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-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide (CID 54687796) is 3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide is O=C(Nc1ccccc1)c1ccc2c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide?
The InChIKey is OMADXMIGQIYSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O5S/c23-14-7-9-16(10-8-14)31(29,30)20-19(26)17-11-6-13(12-18(17)25-22(20)28)21(27)24-15-4-2-1-3-5-15/h1-12H,(H,24,27)(H2,25,26,28).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide?
3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-7-carboxamide has a molecular weight of 454.89 g/mol, XLogP of 3.97, 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-2-oxo-N-phenyl-1H-quinoline-7-carboxamide is sourced from PubChem (CID 54687796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).