1-ethylsulfonyl-3-phenylpyridin-2-one

C13H13NO3S — CID 70512764

IUPAC1-ethylsulfonyl-3-phenylpyridin-2-one
SMILESCCS(=O)(=O)n1cccc(-c2ccccc2)c1=O
InChIInChI=1S/C13H13NO3S/c1-2-18(16,17)14-10-6-9-12(13(14)15)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyKIZGMJPXHHWWEJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.71
Rot. Bonds3

About 1-ethylsulfonyl-3-phenylpyridin-2-one

1-ethylsulfonyl-3-phenylpyridin-2-one (PubChem CID 70512764) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-phenylpyridin-2-one.

Molecular Properties

Compound Name1-ethylsulfonyl-3-phenylpyridin-2-one
PubChem CID70512764
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name1-ethylsulfonyl-3-phenylpyridin-2-one
SMILESCCS(=O)(=O)n1cccc(-c2ccccc2)c1=O
InChIInChI=1S/C13H13NO3S/c1-2-18(16,17)14-10-6-9-12(13(14)15)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyKIZGMJPXHHWWEJ-UHFFFAOYSA-N
XLogP1.71
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-phenylpyridin-2-one?
The IUPAC name of 1-ethylsulfonyl-3-phenylpyridin-2-one (CID 70512764) is 1-ethylsulfonyl-3-phenylpyridin-2-one.
What is the SMILES notation for 1-ethylsulfonyl-3-phenylpyridin-2-one?
The canonical SMILES for 1-ethylsulfonyl-3-phenylpyridin-2-one is CCS(=O)(=O)n1cccc(-c2ccccc2)c1=O.
What is the InChIKey of 1-ethylsulfonyl-3-phenylpyridin-2-one?
The InChIKey is KIZGMJPXHHWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-18(16,17)14-10-6-9-12(13(14)15)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-phenylpyridin-2-one?
1-ethylsulfonyl-3-phenylpyridin-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-phenylpyridin-2-one is sourced from PubChem (CID 70512764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).