2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

C15H12ClFO3S — CID 102865739

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C15H12ClFO3S/c1-21(19,20)12-7-5-10(6-8-12)14(18)9-11-3-2-4-13(16)15(11)17/h2-8H,9H2,1H3
InChIKeyPIKMUERBRJHGDA-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 102865739) has the molecular formula C15H12ClFO3S and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID102865739
Molecular FormulaC15H12ClFO3S
Molecular Weight326.78 g/mol
Exact Mass326.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C15H12ClFO3S/c1-21(19,20)12-7-5-10(6-8-12)14(18)9-11-3-2-4-13(16)15(11)17/h2-8H,9H2,1H3
InChIKeyPIKMUERBRJHGDA-UHFFFAOYSA-N
XLogP3.31
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone 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

2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 102867542
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962970
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylbutan-2-one
CID 102865647
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 82802930

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (CID 102865739) is 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is PIKMUERBRJHGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3S/c1-21(19,20)12-7-5-10(6-8-12)14(18)9-11-3-2-4-13(16)15(11)17/h2-8H,9H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 326.78 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 102865739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).