chempirical

Flusulfamide

C13H7Cl2F3N2O4SCAS 106917-52-6415.16 g/mol

Open in Covalent MOL file
ON+O−NHSOOClFFFCl
Alkyl halideAryl halideNitroSulfonamide

Properties

Molecular formula
C13H7Cl2F3N2O4S
Molar mass
415.16 g/mol
Exact mass
413.9456 Da
Melting point
170 °C
logP
4.72Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)Environmental Hazard (GHS09)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number
106917-52-6
SMILES
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1
InChIKey
GNVDAZSPJWCIQZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonamide, 4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)-
  • 4-Chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide
  • MTF 651
  • 3-Trifluoromethyl-4-chlorobenzenesulfone-2-chloro-4-nitroanilide
  • Scablock
  • NEBIJIN

Work with Flusulfamide

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-Chloro-5-nitrobenzotrifluoride777-37-763 % similar 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-945 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-944 % similar 2,4-Dinitrochlorobenzene97-00-743 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-443 % similar 2-Fluoro-5-nitrobenzotrifluoride400-74-843 % similar 4-Nitro-2-(trifluoromethyl)aniline121-01-742 % similar 3-Chloro-4-fluoronitrobenzene350-30-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook