Basic information
- Standard SMILES
O=C(NCC1CCN(CCNS(=O)(=O)C(F)(F)F)CC1)c1cc(Br)cc(C(F)(F)F)c1- InChIKey
XQEXMWHZVKSKTL-UHFFFAOYSA-N- Molecular formula
- C17H20BrF6N3O3S
- Average molar mass
- 540.3 g/mol
Names & identifiers
- Preferred name
- 3-bromo-5-(trifluoromethyl)-N-((1-(2-(trifluoromethylsulfonamido)ethyl)piperidin-4-yl)methyl)benzamide
- IUPAC
- 3-bromo-5-(trifluoromethyl)-N-[[1-[2-(trifluoromethylsulfonylamino)ethyl]piperidin-4-yl]methyl]benzamide
Names & synonyms
3-bromo-5-(trifluoromethyl)-N-((1-(2-(trifluoromethylsulfonamido)ethyl)piperidin-4-yl)methyl)benzamideSCHEMBL1428160
Database identifiers
- PubChem CID
- 44539841
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 705
Related reactions
4 records
Compound notes
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