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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Related Compounds

4,5,6-trimethyl-3-[(4-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 3646198
5-[(4-Methylsulfonylphenyl)methylsulfanyl]-1,4-dihydropyrazine-2,3-dione
CID 166951555
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 4547646
4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 3762987
1-(difluoromethyl)-5-((4-(methylsulfonyl)phenyl)ethynyl)pyridin-2(1H)-one
CID 44570789
(E)-3-(4-methylphenyl)sulfonylprop-2-enamide
CID 13866248
5-(2-Butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one
CID 118022247
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47072244
N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide
CID 47072246
1-(4-Methylphenyl)sulfonylpyridin-2-one
CID 15666460
5-(2-Ethyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one
CID 118021599
1-Methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one
CID 118023108

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).