2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone

C15H13ClO3S — CID 114962970

IUPAC2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1cccc(C(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClO3S/c1-20(18,19)13-7-4-6-12(9-13)15(17)10-11-5-2-3-8-14(11)16/h2-9H,10H2,1H3
InChIKeyOOFGVZLCHBWOAJ-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.17
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone

2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone (PubChem CID 114962970) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
PubChem CID114962970
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1cccc(C(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClO3S/c1-20(18,19)13-7-4-6-12(9-13)15(17)10-11-5-2-3-8-14(11)16/h2-9H,10H2,1H3
InChIKeyOOFGVZLCHBWOAJ-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

2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114964032
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 102865739
1-(3-methylsulfonylphenyl)-2-pyridin-4-ylethanone
CID 114981634
1-(3-methylsulfonylphenyl)butan-1-one
CID 83957439
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methylsulfonylphenyl)ethanone
CID 114979194
(3-methylsulfonylbenzoyl)azanium
CID 163693398
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
CID 43344607
1-(3-methylsulfonylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114979939
N-bromo-3-methylsulfonylbenzamide
CID 174925666
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline
CID 43682068

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone (CID 114962970) is 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1cccc(C(=O)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The InChIKey is OOFGVZLCHBWOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-20(18,19)13-7-4-6-12(9-13)15(17)10-11-5-2-3-8-14(11)16/h2-9H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
2-(2-chlorophenyl)-1-(3-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-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 114962970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).