3-(Trifluoromethyl)benzene-1-sulfonamide

C₇H₆F₃NO₂SCAS 672-58-2225.19 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₇H₆F₃NO₂S
Molar mass: 225.19 g/mol
Exact mass: 225.0071 Da
logP: 1.35Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
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

672-58-2

SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)C(F)(F)F

InChIKey

ZUTVRDMZQSHCID-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

3-(Trifluoromethyl)benzenesulfonamide

Work with 3-(Trifluoromethyl)benzene-1-sulfonamide

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

m-Trifluoromethylbenzenesulfonyl chloride777-44-660 % similar 3-Fluorobenzenesulfonamide1524-40-958 % similar 3-Chlorobenzenesulfonamide17260-71-853 % similar 3-Aminobenzenesulfonamide98-18-053 % similar 1-[(2-Chloroethyl)sulfonyl]-3-(trifluoromethyl)benzene175203-09-553 % similar 3,5-Bis(trifluoromethyl)benzene402-31-352 % similar 3-Bromobenzene-1-sulfonamide89599-01-951 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonamide351003-63-951 % 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 4-Aminophenyl trifluoromethyl sulphone473-27-8 4-(Trifluoromethyl)benzenesulfonamide830-43-3

Elsewhere

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