2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one

C₁₅H₁₄O₃SCAS 31378-03-7274.33 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

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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Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all

2-[(4-Methylphenyl)sulfonyl]-1-phenylethanone
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)sulphonyl)-1-phenylethan-1-one

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-(phenylsulphonyl)ethan-1-one3406-03-976 % similar (p-Tolylsulphonyl)acetone5366-49-458 % similar (4-Tolylsulphonyl)acetic acid3937-96-056 % similar Phenylsulfonylacetone5000-44-249 % similar (1Z)-N'-Hydroxy(4-methylbenzene-1-sulfonyl)ethanimidamide72660-98-148 % similar 2-[(4-Methylphenyl)sulfonyl]acetonitrile5697-44-948 % similar 2-(Benzenesulfonyl)acetamide35008-50-546 % similar 4-Methylbenzophenone134-84-946 % 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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