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

C22H14Cl2N2O2S — CID 22319044

IUPAC3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(S(=O)c2ccc(Cl)cc2)cn1-c1cccnc1
InChIInChI=1S/C22H14Cl2N2O2S/c23-15-7-9-17(10-8-15)29(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
InChIKeyXXGCGOZMWCUGQW-UHFFFAOYSA-N
MW441.34 g/mol
LogP5.37
Rot. Bonds4

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

3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one (PubChem CID 22319044) has the molecular formula C22H14Cl2N2O2S and a molecular weight of 441.34 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one
PubChem CID22319044
Molecular FormulaC22H14Cl2N2O2S
Molecular Weight441.34 g/mol
Exact Mass440.02
IUPAC Name3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(S(=O)c2ccc(Cl)cc2)cn1-c1cccnc1
InChIInChI=1S/C22H14Cl2N2O2S/c23-15-7-9-17(10-8-15)29(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
InChIKeyXXGCGOZMWCUGQW-UHFFFAOYSA-N
XLogP5.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.34
LogP ≤ 55.37
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)sulfinyl-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one (CID 22319044) is 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one is O=c1c(-c2ccccc2Cl)cc(S(=O)c2ccc(Cl)cc2)cn1-c1cccnc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one?
The InChIKey is XXGCGOZMWCUGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O2S/c23-15-7-9-17(10-8-15)29(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)sulfinyl-1-pyridin-3-ylpyridin-2-one?
3-(2-chlorophenyl)-5-(4-chlorophenyl)sulfinyl-1-pyridin-3-ylpyridin-2-one has a molecular weight of 441.34 g/mol, XLogP of 5.37, 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)sulfinyl-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 22319044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).