chempirical

Dabrafenib mesylate

C24H24F3N5O5S3CAS 1195768-06-9615.66 g/mol

Open in Covalent MOL file
NNHSOOFFFNHNHNSSOOOH
Aryl halideSulfonamideSulfonic acid

Properties

Molecular formula
C24H24F3N5O5S3
Molar mass
615.66 g/mol
Exact mass
615.0892 Da
logP
4.70Crippen estimate
Polar surface area
166.0 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
5

Identifiers

CAS number
1195768-06-9
SMILES
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2cc[nH]c(=N)n2)s1.CS(=O)(=O)O
InChIKey
YKGMKSIHIVVYKY-UHFFFAOYSA-N
InChI
InChI=1S/C23H20F3N5O2S2.CH4O3S/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;1-5(2,3)4/h4-11,31H,1-3H3,(H2,27,28,29);1H3,(H,2,3,4)

Weigh it out

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

Names and synonyms

4 names
  • Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-, methanesulfonate (1:1)
  • GSK 2118436 methanesulfonate salt
  • GSK 2118436B
  • N-[3-[5-(2-Aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide methanesulfonic acid

Work with Dabrafenib mesylate

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

Dabrafenib1195765-45-789 % similar Methyl 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluorobenzoate1195768-19-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook