N-Fluorobenzenesulfonimide

C12H10FNO4S2CAS 133745-75-2315.33 g/mol

Open in Covalent MOL file
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Sulfonamide

Properties

Molecular formula
C12H10FNO4S2
Molar mass
315.33 g/mol
Exact mass
315.0035 Da
logP
1.95Crippen estimate
Polar surface area
71.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
133745-75-2
SMILES
O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1
InChIKey
RLKHFSNWQCZBDC-UHFFFAOYSA-N
InChI
InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H

Weigh it out

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

Names and synonyms

9 names
  • Benzenesulfonamide, N-fluoro-N-(phenylsulfonyl)-
  • N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide
  • N-Fluorobis(phenylsulfonyl)amine
  • N-Fluorodibenzenesulfonimide
  • Accufluor NFSi
  • NFSI
  • N-Fluoro-N-(benzenesulfonyl)benzenesulfonamide
  • N-Phenylsulfonyl-N-fluorobenzenesulfonamide
  • Fluorobis(phenylsulfonyl)amine

Work with N-Fluorobenzenesulfonimide

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

1-Benzenesulfonyl-piperazine14172-55-547 % similar Davis reagent63160-13-445 % similar Benzenesulfonyl fluoride368-43-444 % similar Diphenyl sulfone127-63-944 % similar Difluoromethyl phenyl sulfone1535-65-540 % similar Tribromomethyl phenyl sulfone17025-47-740 % similar Fluoromethyl phenyl sulfone20808-12-240 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook