3-(benzenesulfinyl)-1H-pyridin-2-one

C11H9NO2S — CID 54290943

IUPAC3-(benzenesulfinyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1S(=O)c1ccccc1
InChIInChI=1S/C11H9NO2S/c13-11-10(7-4-8-12-11)15(14)9-5-2-1-3-6-9/h1-8H,(H,12,13)
InChIKeyZMOZFSAPGRTDLA-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.54
Rot. Bonds2

About 3-(benzenesulfinyl)-1H-pyridin-2-one

3-(benzenesulfinyl)-1H-pyridin-2-one (PubChem CID 54290943) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfinyl)-1H-pyridin-2-one
PubChem CID54290943
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name3-(benzenesulfinyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1S(=O)c1ccccc1
InChIInChI=1S/C11H9NO2S/c13-11-10(7-4-8-12-11)15(14)9-5-2-1-3-6-9/h1-8H,(H,12,13)
InChIKeyZMOZFSAPGRTDLA-UHFFFAOYSA-N
XLogP1.54
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfinyl)-1H-pyridin-2-one (CID 54290943) is 3-(benzenesulfinyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfinyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfinyl)-1H-pyridin-2-one is O=c1[nH]cccc1S(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)-1H-pyridin-2-one?
The InChIKey is ZMOZFSAPGRTDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-11-10(7-4-8-12-11)15(14)9-5-2-1-3-6-9/h1-8H,(H,12,13).
What are the key properties of 3-(benzenesulfinyl)-1H-pyridin-2-one?
3-(benzenesulfinyl)-1H-pyridin-2-one has a molecular weight of 219.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-1H-pyridin-2-one is sourced from PubChem (CID 54290943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).