2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone

C15H13ClO3S — CID 11438271

IUPAC2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO3S/c1-20(18,19)14-8-4-12(5-9-14)15(17)10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3
InChIKeyFVMMVJQFXFOFKD-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.17
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone

2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 11438271) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID11438271
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO3S/c1-20(18,19)14-8-4-12(5-9-14)15(17)10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3
InChIKeyFVMMVJQFXFOFKD-UHFFFAOYSA-N
XLogP3.17
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736597
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736596
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
(2S)-2-[[4-[4-[2-(4-chlorophenyl)-2-oxoethyl]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59150919
2-[5-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone
CID 11730391
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 102865739
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 2735795

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone (CID 11438271) is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is FVMMVJQFXFOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-20(18,19)14-8-4-12(5-9-14)15(17)10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 308.79 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 11438271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).