chempirical

Fedratinib

C27H36N6O3SCAS 936091-26-8524.68 g/mol

Open in Covalent MOL file
NNHONHNNSOOHN
EtherSecondary amineSulfonamideTertiary amine

Properties

Molecular formula
C27H36N6O3S
Molar mass
524.68 g/mol
Exact mass
524.2570 Da
logP
4.25Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
9

Identifiers

CAS number
936091-26-8
SMILES
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)[nH]c1=Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIKey
JOOXLOJCABQBSG-UHFFFAOYSA-N
InChI
InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonamide, N-(1,1-dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]-
  • N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
  • TG 101348
  • SAR 302503
  • TG 10138
  • Inrebic

Work with Fedratinib

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook