3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one

C13H13NO3S — CID 141006723

IUPAC3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one
SMILESCCc1cc[nH]c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO3S/c1-2-10-8-9-14-13(15)12(10)18(16,17)11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,14,15)
InChIKeyOGARTMRVNBDARN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.77
Rot. Bonds3

About 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one

3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one (PubChem CID 141006723) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one
PubChem CID141006723
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one
SMILESCCc1cc[nH]c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO3S/c1-2-10-8-9-14-13(15)12(10)18(16,17)11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,14,15)
InChIKeyOGARTMRVNBDARN-UHFFFAOYSA-N
XLogP1.77
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4,6-dimethyl-3-(phenylsulfonyl)-1-(2-propynyl)-2(1H)-pyridinone
CID 3796451
2,3-difluoro-N-(4-methyl-6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 72101147
3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 162406246
4-Phenylthiopyridinone
CID 19365875
N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56786078
4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one
CID 68970078
5-Acetyl-3-[(4-fluorophenyl)sulfanyl]-4-methylpyridin-2(1H)-one
CID 69076752
5-(Phenylthio)-2-pyridone
CID 20326562
3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one
CID 12605541
3-[(4-Methylphenyl)sulfanyl]pyridin-2(1H)-one
CID 13929736

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one (CID 141006723) is 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one is CCc1cc[nH]c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one?
The InChIKey is OGARTMRVNBDARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-10-8-9-14-13(15)12(10)18(16,17)11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,14,15).
What are the key properties of 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one?
3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 141006723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).