3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one

C12H11NO4S — CID 54712814

IUPAC3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H11NO4S/c1-8-7-10(14)11(12(15)13-8)18(16,17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)
InChIKeyAOANEBCIKAUQJI-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.22
Rot. Bonds2

About 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one

3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 54712814) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID54712814
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H11NO4S/c1-8-7-10(14)11(12(15)13-8)18(16,17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)
InChIKeyAOANEBCIKAUQJI-UHFFFAOYSA-N
XLogP1.22
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 2766974
3-[(2-fluorophenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1483835
5-Chloro-4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 3249236
6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
CID 135038968
5-acetyl-3-(benzenesulfonyl)-6-methyl-1H-pyridin-2-one
CID 76315702
5-(benzenesulfonyl)-6-hydroxy-1H-pyridin-2-one
CID 12605536
4-Hydroxy-1,6-dimethyl-3-phenylthiohydropyridin-2-one
CID 54699340
3-(benzenesulfonyl)-6-ethyl-4-methyl-1H-pyridin-2-one
CID 13837917
3-(benzenesulfonyl)-4-methyl-6-propan-2-yl-1H-pyridin-2-one
CID 13837919
6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
CID 66803295
5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one
CID 150482230
3-(4-bromophenyl)sulfonyl-6-butyl-4-hydroxy-1H-pyridin-2-one
CID 152332289

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one (CID 54712814) is 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(S(=O)(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is AOANEBCIKAUQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-8-7-10(14)11(12(15)13-8)18(16,17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15).
What are the key properties of 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one has a molecular weight of 265.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54712814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).