3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one

C12H11NO4S — CID 11277082

IUPAC3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2cccc(O)c2=O)cc1
InChIInChI=1S/C12H11NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(14)12(13)15/h2-8,14H,1H3
InChIKeyWCEPQPZGFHITGY-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.10
Rot. Bonds2

About 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one

3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one (PubChem CID 11277082) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
PubChem CID11277082
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2cccc(O)c2=O)cc1
InChIInChI=1S/C12H11NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(14)12(13)15/h2-8,14H,1H3
InChIKeyWCEPQPZGFHITGY-UHFFFAOYSA-N
XLogP1.10
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one?
The IUPAC name of 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one (CID 11277082) is 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one?
The canonical SMILES for 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one is Cc1ccc(S(=O)(=O)n2cccc(O)c2=O)cc1.
What is the InChIKey of 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one?
The InChIKey is WCEPQPZGFHITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(14)12(13)15/h2-8,14H,1H3.
What are the key properties of 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one?
3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one has a molecular weight of 265.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one is sourced from PubChem (CID 11277082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).