2-(Trifluoromethoxy)benzenesulfonamide

C₇H₆F₃NO₃SCAS 37526-59-3241.18 g/mol

Open in Covalent MOL file

Alkyl halide Ether Sulfonamide

Properties

Molecular formula: C₇H₆F₃NO₃S
Molar mass: 241.18 g/mol
Exact mass: 241.0020 Da
logP: 1.23Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

37526-59-3

SMILES

NS(=O)(=O)c1ccccc1OC(F)(F)F

InChIKey

HIFGQHGWMTZMOH-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-3-1-2-4-6(5)15(11,12)13/h1-4H,(H2,11,12,13)

Weigh it out

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

Names and synonyms

2 names

Benzenesulfonamide, 2-(trifluoromethoxy)-
2-(Trifluoromethoxy)benzene-1-sulfonamide

Work with 2-(Trifluoromethoxy)benzenesulfonamide

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

2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-161 % similar 2-(Trifluoromethoxy)benzenesulfonyl isocyanate99722-81-354 % similar 2-(Trifluoromethyl)benzenesulfonamide1869-24-553 % similar 2-(2-Methoxyethoxy)benzenesulfonamide82031-33-249 % similar 2-Trifluoromethoxyaniline1535-75-749 % similar 2-(Trifluoromethoxy)benzamide127979-74-246 % similar 2-Aminobenzenesulfonamide3306-62-546 % similar 2-(Trifluoromethoxy)benzenemethanamine175205-64-845 % similar

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

Same formula

4-(Trifluoromethoxy)benzenesulfonamide1513-45-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook