5-(4-methylsulfonylphenyl)-1H-pyridin-2-one

C12H11NO3S — CID 53218127

IUPAC5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C12H11NO3S/c1-17(15,16)11-5-2-9(3-6-11)10-4-7-12(14)13-8-10/h2-8H,1H3,(H,13,14)
InChIKeyBITRRRKSFVDYNJ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.45
Rot. Bonds2

About 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one

5-(4-methylsulfonylphenyl)-1H-pyridin-2-one (PubChem CID 53218127) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
PubChem CID53218127
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C12H11NO3S/c1-17(15,16)11-5-2-9(3-6-11)10-4-7-12(14)13-8-10/h2-8H,1H3,(H,13,14)
InChIKeyBITRRRKSFVDYNJ-UHFFFAOYSA-N
XLogP1.45
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one (CID 53218127) is 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one is CS(=O)(=O)c1ccc(-c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one?
The InChIKey is BITRRRKSFVDYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-17(15,16)11-5-2-9(3-6-11)10-4-7-12(14)13-8-10/h2-8H,1H3,(H,13,14).
What are the key properties of 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one?
5-(4-methylsulfonylphenyl)-1H-pyridin-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 53218127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).