2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone

C15H14O3S — CID 15627039

IUPAC2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O3S/c1-12-7-9-13(10-8-12)15(16)11-19(17,18)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyDITVWQPTRBYVRP-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.65
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone

2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone (PubChem CID 15627039) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone
PubChem CID15627039
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O3S/c1-12-7-9-13(10-8-12)15(16)11-19(17,18)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyDITVWQPTRBYVRP-UHFFFAOYSA-N
XLogP2.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone (CID 15627039) is 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone?
The InChIKey is DITVWQPTRBYVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-12-7-9-13(10-8-12)15(16)11-19(17,18)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone?
2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone has a molecular weight of 274.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 15627039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).