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

C12H10ClNO3S — CID 121008382

IUPAC5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C12H10ClNO3S/c1-9-2-5-11(6-3-9)18(16,17)14-8-10(13)4-7-12(14)15/h2-8H,1H3
InChIKeyOQPQQRGACRYTCN-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.05
Rot. Bonds2

About 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one

5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one (PubChem CID 121008382) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one
PubChem CID121008382
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C12H10ClNO3S/c1-9-2-5-11(6-3-9)18(16,17)14-8-10(13)4-7-12(14)15/h2-8H,1H3
InChIKeyOQPQQRGACRYTCN-UHFFFAOYSA-N
XLogP2.05
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
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5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-thiol
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one?
The IUPAC name of 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one (CID 121008382) is 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one.
What is the SMILES notation for 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one?
The canonical SMILES for 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one is Cc1ccc(S(=O)(=O)n2cc(Cl)ccc2=O)cc1.
What is the InChIKey of 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one?
The InChIKey is OQPQQRGACRYTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-9-2-5-11(6-3-9)18(16,17)14-8-10(13)4-7-12(14)15/h2-8H,1H3.
What are the key properties of 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one?
5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one has a molecular weight of 283.74 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one is sourced from PubChem (CID 121008382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).