1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone

C15H13ClO3S — CID 974035

IUPAC1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO3S/c1-11-6-8-12(9-7-11)20(18,19)10-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3
InChIKeyFNDDDUMKGQWCQZ-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.31
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone

1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone (PubChem CID 974035) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
PubChem CID974035
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO3S/c1-11-6-8-12(9-7-11)20(18,19)10-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3
InChIKeyFNDDDUMKGQWCQZ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone
CID 64644445
2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
CID 64637707
1-(2-chlorophenyl)-2-[3-(4-methylphenyl)sulfonyl-1-bicyclo[1.1.1]pentanyl]ethanone
CID 162400313
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone
CID 64644455
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone
CID 64636762
2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
CID 62917039
phenyl 2-(4-methylphenyl)sulfonylacetate
CID 102223782
2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide
CID 3265558
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone (CID 974035) is 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone is Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone?
The InChIKey is FNDDDUMKGQWCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-11-6-8-12(9-7-11)20(18,19)10-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone?
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone has a molecular weight of 308.79 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 1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone is sourced from PubChem (CID 974035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).