Basic information
- Standard SMILES
CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(F)c(F)c4)cc(C(F)(F)F)n3)ccn2)s1- InChIKey
ACMQQHWQUJASAJ-UHFFFAOYSA-N- Molecular formula
- C24H19F5N4O2S2
- Average molar mass
- 554.6 g/mol
- Monoisotopic mass
- 554.08695902
Names & identifiers
- Preferred name
- 5-{4-[4-(3,4-Difluoro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-pyridin-2-yl}-thiophene-2-sulfonic acid tert-butyl amide
- IUPAC
- N-tert-butyl-5-[4-[4-(3,4-difluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide
Names & synonyms
5-{4-[4-(3,4-Difluoro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-pyridin-2-yl}-thiophene-2-sulfonic acid tert-butyl amideSCHEMBL3566655
Database identifiers
- PubChem CID
- 60209484
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 882
Related reactions
6 records
Compound notes
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