5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one

C13H13NO4S — CID 150482230

IUPAC5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one
SMILESCCc1cc(=O)[nH]c(O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO4S/c1-2-9-8-11(15)14-13(16)12(9)19(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyHUBFYWWHZIKYLM-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.48
Rot. Bonds3

About 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one

5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one (PubChem CID 150482230) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one
PubChem CID150482230
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one
SMILESCCc1cc(=O)[nH]c(O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO4S/c1-2-9-8-11(15)14-13(16)12(9)19(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyHUBFYWWHZIKYLM-UHFFFAOYSA-N
XLogP1.48
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.48
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
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
5-(Benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 20518098
5-(Benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one
CID 20574973
6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
CID 66803295
3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one
CID 141006723

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one (CID 150482230) is 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one is CCc1cc(=O)[nH]c(O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one?
The InChIKey is HUBFYWWHZIKYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-2-9-8-11(15)14-13(16)12(9)19(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one?
5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one has a molecular weight of 279.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 150482230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).