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

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Chloroethoxy)benzene-1-sulfonamide82097-01-650 % similar 2-(2-Methoxyethoxy)benzenesulfonamide82031-33-249 % similar 2-Trifluoromethoxyaniline1535-75-749 % similar 2-Fluorobenzenesulfonamide30058-40-349 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-547 % 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