3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one

C13H13NO4S — CID 54712816

IUPAC3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(S(=O)(=O)c2ccccc2)c(=O)n1C
InChIInChI=1S/C13H13NO4S/c1-9-8-11(15)12(13(16)14(9)2)19(17,18)10-6-4-3-5-7-10/h3-8,15H,1-2H3
InChIKeyKIVOHGYFDJXGLB-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.23
Rot. Bonds2

About 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one

3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 54712816) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID54712816
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(S(=O)(=O)c2ccccc2)c(=O)n1C
InChIInChI=1S/C13H13NO4S/c1-9-8-11(15)12(13(16)14(9)2)19(17,18)10-6-4-3-5-7-10/h3-8,15H,1-2H3
InChIKeyKIVOHGYFDJXGLB-UHFFFAOYSA-N
XLogP1.23
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-3-(phenylsulfonyl)-1-(2-propynyl)-2(1H)-pyridinone
CID 3796451
3-(4-Fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135045712
4-Hydroxy-1,6-dimethyl-3-phenylthiohydropyridin-2-one
CID 54699340
4-Hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one
CID 135045684
5-(Benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 20518098
[5-(Benzenesulfonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]methanesulfonic acid
CID 20562327
5-(Benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one
CID 20574973
2-(Benzenesulfonyl)-3-(diethylamino)penta-2,4-dienoic acid
CID 150433398
1,4,6-trimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 1483836
3-(Benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one
CID 11492853
3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54704564
4-hydroxy-6-methyl-3-(phenylsulfanyl)pyridin-2(1H)-one
CID 54707529

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one (CID 54712816) is 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(S(=O)(=O)c2ccccc2)c(=O)n1C.
What is the InChIKey of 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is KIVOHGYFDJXGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-9-8-11(15)12(13(16)14(9)2)19(17,18)10-6-4-3-5-7-10/h3-8,15H,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 279.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54712816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).