1-[4-(Benzenesulfonyl)phenyl]ethan-1-one

C₁₄H₁₂O₃SCAS 65085-83-8260.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂O₃S
Molar mass: 260.31 g/mol
Exact mass: 260.0507 Da
logP: 2.72Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

65085-83-8

SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

InChIKey

FGFHDNIGKVTTLC-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H,1H3

Weigh it out

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Names and synonyms

1 names

4-Acetyldiphenyl sulfone

Work with 1-[4-(Benzenesulfonyl)phenyl]ethan-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

Acetophenone98-86-261 % similar 4-Acetylbiphenyl92-91-158 % similar 1-[4-(Methylsulfonyl)phenyl]ethanone10297-73-158 % similar 4-Acetylbenzenesulfonamide1565-17-956 % similar 4-Acetylbenzenesulfonyl chloride1788-10-956 % similar 1,4-Diacetylbenzene1009-61-656 % similar Diphenyl sulfone127-63-956 % similar 1-[4-(Phenylthio)phenyl]ethanone10169-55-853 % similar

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

Same formula

Tiaprofenic acid33005-95-7 1-Phenyl-2-(phenylsulfonyl)ethanone3406-03-9 Suprofen40828-46-4

Elsewhere

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