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

C14H15NO4S — CID 20518098

IUPAC5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCn1c(O)c(S(=O)(=O)c2ccccc2)c(C)cc1=O
InChIInChI=1S/C14H15NO4S/c1-3-15-12(16)9-10(2)13(14(15)17)20(18,19)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3
InChIKeyOLMGIWZLZDMTFH-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.72
Rot. Bonds3

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

5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one (PubChem CID 20518098) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one
PubChem CID20518098
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCn1c(O)c(S(=O)(=O)c2ccccc2)c(C)cc1=O
InChIInChI=1S/C14H15NO4S/c1-3-15-12(16)9-10(2)13(14(15)17)20(18,19)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3
InChIKeyOLMGIWZLZDMTFH-UHFFFAOYSA-N
XLogP1.72
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.72
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
2-(benzenesulfonyl)-N,N-diethylacetamide
CID 10332604
1-[2-(2-Fluorophenyl)sulfonylethyl]pyridin-2-one
CID 82907512
1-[2-(4-Fluorophenyl)sulfonylethyl]pyridin-2-one
CID 82907663
1-[2-(3-Fluorophenyl)sulfonylethyl]pyridin-2-one
CID 82907813
1-[2-(4-Fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one
CID 99836910
4-[(4-Fluorophenyl)sulfonylmethyl]-1-methylpyridin-2-one
CID 132284445
3-[Benzenesulfonyl(difluoro)methyl]-1-methylpyridin-2-one
CID 132520369
1-[2-(Benzenesulfonyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 133771915
3-(Benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 166452046
(E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide
CID 10754170
2-[3-(Benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid
CID 18398303

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one (CID 20518098) is 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one is CCn1c(O)c(S(=O)(=O)c2ccccc2)c(C)cc1=O.
What is the InChIKey of 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is OLMGIWZLZDMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-3-15-12(16)9-10(2)13(14(15)17)20(18,19)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one?
5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 293.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 20518098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).