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

C15H13ClO3S — CID 114962432

IUPAC2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1cccc(C(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO3S/c1-20(18,19)14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10H,9H2,1H3
InChIKeyUJXMTOUDGXOANQ-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.17
Rot. Bonds4

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

2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone (PubChem CID 114962432) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
PubChem CID114962432
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1cccc(C(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO3S/c1-20(18,19)14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10H,9H2,1H3
InChIKeyUJXMTOUDGXOANQ-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-(3-methylsulfonylphenyl)-2-pyridin-4-ylethanone
CID 114981634
2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962970
1-(3-methylsulfonylphenyl)butan-1-one
CID 83957439
N-[4-[2-(3-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 62505094
1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907
2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114964032
1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone
CID 66973355
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
CID 43344607
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methylsulfonylphenyl)ethanone
CID 114979194
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide
CID 172570951

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone (CID 114962432) is 2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1cccc(C(=O)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The InChIKey is UJXMTOUDGXOANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-20(18,19)14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
2-(3-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-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 114962432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).