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

C22H15ClN2OS — CID 22319236

IUPAC3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(Sc2ccc(Cl)cc2)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C22H15ClN2OS/c23-17-9-11-19(12-10-17)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
InChIKeyJAEVGQHKDBHHPM-UHFFFAOYSA-N
MW390.90 g/mol
LogP5.70
Rot. Bonds4

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

3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one (PubChem CID 22319236) has the molecular formula C22H15ClN2OS and a molecular weight of 390.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one
PubChem CID22319236
Molecular FormulaC22H15ClN2OS
Molecular Weight390.90 g/mol
Exact Mass390.06
IUPAC Name3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(Sc2ccc(Cl)cc2)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C22H15ClN2OS/c23-17-9-11-19(12-10-17)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
InChIKeyJAEVGQHKDBHHPM-UHFFFAOYSA-N
XLogP5.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one (CID 22319236) is 3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one is O=c1c(Sc2ccc(Cl)cc2)cc(-c2ccccn2)cn1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The InChIKey is JAEVGQHKDBHHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2OS/c23-17-9-11-19(12-10-17)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)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one?
3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one has a molecular weight of 390.90 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-1-phenyl-5-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 22319236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).