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Basic information
- Standard SMILES
CN(C)CCNS(=O)(=O)c1cccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1- InChIKey
JVHJTJUVKLDLBM-UHFFFAOYSA-N- Molecular formula
- C26H22F5N5O2S
- Average molar mass
- 563.5 g/mol
- Monoisotopic mass
- 563.14143695
Names & identifiers
- Preferred name
- 3-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-dimethylamino-ethyl)-benzenesulfonamide
- IUPAC
- 3-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
Names & synonyms
3-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-dimethylamino-ethyl)-benzenesulfonamideSCHEMBL1349059
Database identifiers
- PubChem CID
- 11852829
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 984
Related reactions
5 records
Compound notes
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