chempirical

Dabrafenib

C23H20F3N5O2S2CAS 1195765-45-7519.56 g/mol

Open in Covalent MOL file
NNHSOOFFFNHNHNS
Aryl halideSulfonamide

Properties

Molecular formula
C23H20F3N5O2S2
Molar mass
519.56 g/mol
Exact mass
519.1011 Da
logP
5.20Crippen estimate
Polar surface area
111.6 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
5

Identifiers

CAS number
1195765-45-7
SMILES
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2cc[nH]c(=N)n2)s1
InChIKey
BFSMGDJOXZAERB-UHFFFAOYSA-N
InChI
InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)

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

Names and synonyms

8 names
  • Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-
  • GSK 2118436
  • Dabarefenib
  • Tafinlar
  • GSK 436
  • N-[3-[5-(2-Aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
  • Tafmlar
  • N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

Work with Dabrafenib

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

Dabrafenib mesylate1195768-06-989 % similar Methyl 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluorobenzoate1195768-19-439 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook