N-(3-(2-(tert-Butyl)-5-(2-chloropyrimidin-4-yl)thiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide

• Catalog: OFC1195768230
• CAS: 1195768-23-0
• Category: Fluorinated Pyrimidines
• Synonyms: N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1,1-dimethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
• Purity: 97%
• MDL Number: MFCD18447700

• IUPAC Name: N-[3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
• InChI: InChI=1S/C23H18ClF3N4O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(24)29-16)12-6-4-9-15(17(12)27)31-35(32,33)20-13(25)7-5-8-14(20)26/h4-11,31H,1-3H3
• InChI Key: IOJHPWJJWDACRN-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)Cl)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F
• EC Number: 813-231-4

• Molecular Formula: C23H18ClF3N4O2S2
• Molecular Weight: 538.99
• Storage: Inert atmosphere, 2-8°C

• XLogP3-AA: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 538.0511804 g/mol
• Monoisotopic Mass: 538.0511804 g/mol
• Topological Polar Surface Area: 122Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 821