chempirical

2-[(4-Methylphenyl)sulfonyl]-1-phenylethanone

C15H14O3SCAS 31378-03-7274.33 g/mol

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SOOO
KetoneSulfone

Properties

Molecular formula
C15H14O3S
Molar mass
274.33 g/mol
Exact mass
274.0664 Da
Melting point
110 °C
logP
2.65Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
31378-03-7
SMILES
Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1
InChIKey
RFQXSRPFYWMUDV-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3

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Names and synonyms

15 names · show all
  • Ethanone, 2-[(4-methylphenyl)sulfonyl]-1-phenyl-
  • Acetophenone, 2-(p-tolylsulfonyl)-
  • (p-Tolylsulfonyl)benzoylmethane
  • Phenacyl p-tolyl sulfone
  • 4-Methylphenyl phenacyl sulfone
  • 2-(p-Toluenesulfonyl)acetophenone
  • p-Tolyl phenacyl sulfone
  • α-(p-Toluenesulfonyl)acetophenone
  • NSC 140338
  • 1-Phenyl-2-tosylethanone
  • α-Tosylacetophenone
  • 1-Phenyl-2-tosylethan-1-one
  • 1-Phenyl-2-(toluene-4-sulfonyl)-ethanone
  • 1-Phenyl-2-(4-methylphenylsulfonyl)ethan-1-one
  • 2-(4-Methylbenzenesulfonyl)-1-phenylethan-1-one

Work with 2-[(4-Methylphenyl)sulfonyl]-1-phenylethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Phenyl-2-(phenylsulfonyl)ethanone3406-03-976 % similar 1-[(4-Methylphenyl)sulfonyl]-2-propanone5366-49-458 % similar 2-[(4-Methylphenyl)sulfonyl]acetic acid3937-96-056 % similar 2-[(4-Methylphenyl)sulfonyl]acetonitrile5697-44-948 % similar 4-Methylbenzophenone134-84-946 % similar Methyl 2-(phenylsulfonyl)acetate34097-60-445 % similar 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-945 % similar 2-[(4-Methylphenyl)sulfonyl]ethanol22381-54-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-(-)-Modafinil acid112111-45-2

Elsewhere

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