6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one

C13H13NO4S — CID 66803295

IUPAC6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
SMILESCc1cc(CS(=O)(=O)c2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C13H13NO4S/c1-9-7-10(14-13(16)12(9)15)8-19(17,18)11-5-3-2-4-6-11/h2-7,15H,8H2,1H3,(H,14,16)
InChIKeyHZTFNSUYMLSXKT-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.36
Rot. Bonds3

About 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one

6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one (PubChem CID 66803295) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
PubChem CID66803295
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
SMILESCc1cc(CS(=O)(=O)c2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C13H13NO4S/c1-9-7-10(14-13(16)12(9)15)8-19(17,18)11-5-3-2-4-6-11/h2-7,15H,8H2,1H3,(H,14,16)
InChIKeyHZTFNSUYMLSXKT-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one (CID 66803295) is 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one is Cc1cc(CS(=O)(=O)c2ccccc2)[nH]c(=O)c1O.
What is the InChIKey of 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one?
The InChIKey is HZTFNSUYMLSXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-9-7-10(14-13(16)12(9)15)8-19(17,18)11-5-3-2-4-6-11/h2-7,15H,8H2,1H3,(H,14,16).
What are the key properties of 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one?
6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one has a molecular weight of 279.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 66803295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).