chempirical

4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

C7H8F3N3O4S2CAS 654-62-6319.27 g/mol

Open in Covalent MOL file
NH2FFFSH2NOOSNH2OO
Alkyl halidePrimary amineSulfonamide

Properties

Molecular formula
C7H8F3N3O4S2
Molar mass
319.27 g/mol
Exact mass
318.9908 Da
Melting point
239.5–241.5 °C
logP
-0.42Crippen estimate
Polar surface area
146.3 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Identifiers

CAS number
654-62-6
SMILES
Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIKey
KRVABEGPNKGLOT-UHFFFAOYSA-N
InChI
InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzenedisulfonamide, 4-amino-6-(trifluoromethyl)-
  • Toluene-2,4-disulfonamide, 5-amino-α,α,α-trifluoro-
  • 5-Trifluoromethyl-2,4-disulfamoylaniline
  • 2,4-Disulfamoyl-5-trifluoromethylaniline
  • NSC 44625

Work with 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

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-Amino-6-chloro-1,3-benzenedisulfonamide121-30-253 % similar 2-(Trifluoromethyl)benzenesulfonamide1869-24-553 % similar Clorsulon60200-06-845 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonamide351003-63-943 % similar Bendroflumethiazide73-48-343 % similar 2-Aminobenzenesulfonamide3306-62-542 % similar 4-(Trifluoromethyl)benzenesulfonamide830-43-339 % similar 4-Amino-2-chloro-5-hydroxybenzenesulfonamide41606-65-937 % similar

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

Elsewhere

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