2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone

C20H15ClOS — CID 2797592

IUPAC2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15ClOS/c21-17-11-13-18(14-12-17)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,20H
InChIKeyCGODCJFDRZPZFJ-UHFFFAOYSA-N
MW338.86 g/mol
LogP6.06
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone

2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone (PubChem CID 2797592) has the molecular formula C20H15ClOS and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
PubChem CID2797592
Molecular FormulaC20H15ClOS
Molecular Weight338.86 g/mol
Exact Mass338.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15ClOS/c21-17-11-13-18(14-12-17)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,20H
InChIKeyCGODCJFDRZPZFJ-UHFFFAOYSA-N
XLogP6.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.86
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[carboxy(phenyl)methyl]sulfanylbenzoic acid
CID 2876441
[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 2386634
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,2-diphenylethanone
CID 40647144
(2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1,2-diphenylethanone
CID 8605349
4-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786389
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 21169890
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
2-[4-(2-oxo-1,2-diphenylethyl)sulfanylbutylsulfanyl]-1,2-diphenylethanone
CID 152509130
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 146163389

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone (CID 2797592) is 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone is O=C(c1ccccc1)C(Sc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone?
The InChIKey is CGODCJFDRZPZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClOS/c21-17-11-13-18(14-12-17)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,20H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone?
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone has a molecular weight of 338.86 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone is sourced from PubChem (CID 2797592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).