1-(4-methylphenyl)sulfonylpyridin-2-one

C12H11NO3S — CID 15666460

IUPAC1-(4-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2ccccc2=O)cc1
InChIInChI=1S/C12H11NO3S/c1-10-5-7-11(8-6-10)17(15,16)13-9-3-2-4-12(13)14/h2-9H,1H3
InChIKeyDFLQGOSICUNNAI-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.39
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylpyridin-2-one

1-(4-methylphenyl)sulfonylpyridin-2-one (PubChem CID 15666460) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpyridin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpyridin-2-one
PubChem CID15666460
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name1-(4-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2ccccc2=O)cc1
InChIInChI=1S/C12H11NO3S/c1-10-5-7-11(8-6-10)17(15,16)13-9-3-2-4-12(13)14/h2-9H,1H3
InChIKeyDFLQGOSICUNNAI-UHFFFAOYSA-N
XLogP1.39
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpyridin-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfonylpyridin-2-one (CID 15666460) is 1-(4-methylphenyl)sulfonylpyridin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpyridin-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpyridin-2-one is Cc1ccc(S(=O)(=O)n2ccccc2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpyridin-2-one?
The InChIKey is DFLQGOSICUNNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-10-5-7-11(8-6-10)17(15,16)13-9-3-2-4-12(13)14/h2-9H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpyridin-2-one?
1-(4-methylphenyl)sulfonylpyridin-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpyridin-2-one is sourced from PubChem (CID 15666460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).