4-Bromo-2,5-difluorobenzenesulfonamide

C6H4BrF2NO2SCAS 214209-98-0272.06 g/mol

Open in Covalent MOL file
H2NSOOFBrF
Aryl halideSulfonamide

Properties

Molecular formula
C6H4BrF2NO2S
Molar mass
272.06 g/mol
Exact mass
270.9114 Da
logP
1.37Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
214209-98-0
SMILES
NS(=O)(=O)c1cc(F)c(Br)cc1F
InChIKey
MINSVLXUGHJBPH-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrF2NO2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H2,10,11,12)

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Names and synonyms

1 names
  • Benzenesulfonamide, 4-bromo-2,5-difluoro-

Work with 4-Bromo-2,5-difluorobenzenesulfonamide

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-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-959 % similar 4-Bromo-2-fluorobenzenesulphonamide214210-30-757 % similar 4-Bromo-3-fluorobenzene-1-sulfonamide263349-73-157 % similar 2-Bromo-4-fluorobenzenesulfonamide351003-60-653 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-552 % similar 2,5-Difluorobenzenesulfonamide120022-63-151 % similar 2,4-Difluorobenzenesulfonamide13656-60-551 % similar 5-Bromo-2,4-difluorobenzenesulfonyl chloride287172-61-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook