chempirical

4-Aminophenyl trifluoromethyl sulphone

C7H6F3NO2SCAS 473-27-8225.19 g/mol

Open in Covalent MOL file
H2NSOOFFF
Alkyl halidePrimary amineSulfone

Properties

Molecular formula
C7H6F3NO2S
Molar mass
225.19 g/mol
Exact mass
225.0071 Da
logP
1.56Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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
473-27-8
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F
InChIKey
GNVFCXUZQGCXPB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2

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Names and synonyms

1 names
  • 4-(Trifluoromethylsulfonyl)aniline

Work with 4-Aminophenyl trifluoromethyl sulphone

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

4-[(Trifluoromethyl)sulfonyl]benzonitrile312-21-055 % similar Dapsone80-08-050 % similar Sulfanilamide63-74-147 % similar Sulfanilic acid121-57-345 % similar 4-(Methylsulfonyl)aniline5470-49-545 % similar 4-Fluoro-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide1027345-08-943 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-742 % similar Sodium p-aminobenzenesulfonate515-74-242 % similar

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

Same formula

Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-4 2-(Trifluoromethyl)benzenesulfonamide1869-24-5 3-[(Trifluoromethyl)sulfonyl]benzenamine426-59-5 3-(Trifluoromethyl)benzene-1-sulfonamide672-58-2 4-(Trifluoromethyl)benzenesulfonamide830-43-3

Elsewhere

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