3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one

C13H13NO4S — CID 11492853

IUPAC3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one
SMILESCOc1ccn(C)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO4S/c1-14-9-8-11(18-2)12(13(14)15)19(16,17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyZIGYBKRQHDZFQY-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.23
Rot. Bonds3

About 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one

3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one (PubChem CID 11492853) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one
PubChem CID11492853
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one
SMILESCOc1ccn(C)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO4S/c1-14-9-8-11(18-2)12(13(14)15)19(16,17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyZIGYBKRQHDZFQY-UHFFFAOYSA-N
XLogP1.23
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Benzenesulfonyl)-1-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 20518098
5-(Benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one
CID 20574973
methyl (2Z,4E)-2-(benzenesulfonyl)-5-(dimethylamino)penta-2,4-dienoate
CID 57943947
methyl (2Z,4E)-2-(benzenesulfonyl)-5-[ethyl(methyl)amino]penta-2,4-dienoate
CID 57943955
methyl (2E)-3-(dimethylamino)-2-(phenylsulfonyl)acrylate
CID 66724309
Methyl 2-(benzenesulfonyl)-3-(dimethylamino)prop-2-enoate
CID 66724310
Methyl 2-(benzenesulfonyl)-5-(dimethylamino)penta-2,4-dienoate
CID 76653733
Methyl 2-(benzenesulfonyl)-5-[ethyl(methyl)amino]penta-2,4-dienoate
CID 76653741
methyl (2Z,4E)-2-(benzenesulfonyl)-5-[methyl(prop-2-enyl)amino]penta-2,4-dienoate
CID 87383159
Methyl 2-(benzenesulfonyl)-5-[methyl(prop-2-enyl)amino]penta-2,4-dienoate
CID 91035071
3-(2,4-Difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one
CID 175875835
Methyl 4-(benzenesulfonyl)-5-(dimethylamino)penta-2,4-dienoate
CID 3313792

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one (CID 11492853) is 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one is COc1ccn(C)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one?
The InChIKey is ZIGYBKRQHDZFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-14-9-8-11(18-2)12(13(14)15)19(16,17)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one?
3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one has a molecular weight of 279.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 11492853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).