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

C22H14Cl2N2OS — CID 22319139

IUPAC3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(Sc2ccc(Cl)cc2)cn1-c1cccnc1
InChIInChI=1S/C22H14Cl2N2OS/c23-15-7-9-17(10-8-15)28-18-12-20(19-5-1-2-6-21(19)24)22(27)26(14-18)16-4-3-11-25-13-16/h1-14H
InChIKeyYAACRQMRCBUAEO-UHFFFAOYSA-N
MW425.34 g/mol
LogP6.36
Rot. Bonds4

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

3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one (PubChem CID 22319139) has the molecular formula C22H14Cl2N2OS and a molecular weight of 425.34 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one
PubChem CID22319139
Molecular FormulaC22H14Cl2N2OS
Molecular Weight425.34 g/mol
Exact Mass424.02
IUPAC Name3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(Sc2ccc(Cl)cc2)cn1-c1cccnc1
InChIInChI=1S/C22H14Cl2N2OS/c23-15-7-9-17(10-8-15)28-18-12-20(19-5-1-2-6-21(19)24)22(27)26(14-18)16-4-3-11-25-13-16/h1-14H
InChIKeyYAACRQMRCBUAEO-UHFFFAOYSA-N
XLogP6.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one (CID 22319139) is 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one is O=c1c(-c2ccccc2Cl)cc(Sc2ccc(Cl)cc2)cn1-c1cccnc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one?
The InChIKey is YAACRQMRCBUAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2OS/c23-15-7-9-17(10-8-15)28-18-12-20(19-5-1-2-6-21(19)24)22(27)26(14-18)16-4-3-11-25-13-16/h1-14H.
What are the key properties of 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one?
3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one has a molecular weight of 425.34 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 22319139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).