4-(Difluoromethoxy)benzenesulfonamide

C₇H₇F₂NO₃SCAS 874781-09-6223.19 g/mol

Open in Covalent MOL file

Alkyl halide Ether Sulfonamide

Properties

Molecular formula: C₇H₇F₂NO₃S
Molar mass: 223.19 g/mol
Exact mass: 223.0115 Da
logP: 0.94Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

874781-09-6

SMILES

NS(=O)(=O)c1ccc(OC(F)F)cc1

InChIKey

BBBQHNZWCPUJNW-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F2NO3S/c8-7(9)13-5-1-3-6(4-2-5)14(10,11)12/h1-4,7H,(H2,10,11,12)

Weigh it out

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

Names and synonyms

1 names

Benzenesulfonamide, 4-(difluoromethoxy)-

Work with 4-(Difluoromethoxy)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

4-(Difluoromethoxy)benzenesulfonyl chloride351003-34-459 % similar 4-Fluorobenzenesulfonamide402-46-055 % similar 4-Methoxybenzenesulfonamide1129-26-655 % similar 4-(Trifluoromethoxy)benzenesulfonamide1513-45-754 % similar 4-(Difluoromethoxy)aniline22236-10-850 % similar p-(Difluoromethoxy)benzaldehyde73960-07-347 % similar Sulfanilamide63-74-147 % similar 3,4-Difluorobenzenesulfonamide108966-71-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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