3-[(Trifluoromethyl)sulfonyl]benzenamine

C₇H₆F₃NO₂SCAS 426-59-5225.19 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Sulfone

Properties

Molecular formula: C₇H₆F₃NO₂S
Molar mass: 225.19 g/mol
Exact mass: 225.0071 Da
Melting point: 78–79 °C
logP: 1.56Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

426-59-5

SMILES

Nc1cccc(S(=O)(=O)C(F)(F)F)c1

InChIKey

LZYNHEOVZMLXIO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-2-5(11)4-6/h1-4H,11H2

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Names and synonyms

9 names

Benzenamine, 3-[(trifluoromethyl)sulfonyl]-
Aniline, m-[(trifluoromethyl)sulfonyl]-
m-(Trifluoromethylsulfonyl)aniline
3-Trifluoromethylsulfonylaniline
3-Aminophenyl trifluoromethyl sulfone
3-Trifluoromethylsulfonylphenylamine
5-(Trifluoromethylsulfonyl)aniline
3-(Trifluoromethanesulfonyl)aniline
3-(Trifluoromethanesulfonyl)phenylamine

Work with 3-[(Trifluoromethyl)sulfonyl]benzenamine

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

3,3′-Diaminodiphenyl sulfone599-61-156 % similar 3-Aminobenzenesulfonamide98-18-053 % similar Metanilic acid121-47-151 % similar Sodium m-aminobenzenesulfonate1126-34-749 % similar 3-Amino-N-phenylbenzenesulfonamide80-21-745 % similar 1,3-Phenylenediamine sulfate541-70-843 % similar 3-(Trifluoromethyl)aniline98-16-843 % similar M-Phenylenediamine108-45-241 % 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 4-(Trifluoromethyl)benzenesulfonamide830-43-3

Elsewhere

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