3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one

C22H15ClN2O2S — CID 22318958

IUPAC3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(S(=O)c2ccc(Cl)cc2)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C22H15ClN2O2S/c23-17-9-11-19(12-10-17)28(27)21-14-16(20-8-4-5-13-24-20)15-25(22(21)26)18-6-2-1-3-7-18/h1-15H
InChIKeyPPFRNUJOYJTLRP-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.72
Rot. Bonds4

About 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one

3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one (PubChem CID 22318958) has the molecular formula C22H15ClN2O2S and a molecular weight of 406.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one
PubChem CID22318958
Molecular FormulaC22H15ClN2O2S
Molecular Weight406.89 g/mol
Exact Mass406.05
IUPAC Name3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(S(=O)c2ccc(Cl)cc2)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C22H15ClN2O2S/c23-17-9-11-19(12-10-17)28(27)21-14-16(20-8-4-5-13-24-20)15-25(22(21)26)18-6-2-1-3-7-18/h1-15H
InChIKeyPPFRNUJOYJTLRP-UHFFFAOYSA-N
XLogP4.72
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one (CID 22318958) is 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one is O=c1c(S(=O)c2ccc(Cl)cc2)cc(-c2ccccn2)cn1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The InChIKey is PPFRNUJOYJTLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2S/c23-17-9-11-19(12-10-17)28(27)21-14-16(20-8-4-5-13-24-20)15-25(22(21)26)18-6-2-1-3-7-18/h1-15H.
What are the key properties of 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one?
3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one has a molecular weight of 406.89 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfinyl-1-phenyl-5-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 22318958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).