Basic information
- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCOS(=O)(=O)C(F)(F)F)CCOS(=O)(=O)C(F)(F)F- InChIKey
VRPWJIPNTONINS-UHFFFAOYSA-N- Molecular formula
- C12H12F6N2O10S3
- Average molar mass
- 554.4 g/mol
Names & identifiers
- Preferred name
- N,N-Bis-(2-trifluoromethanesulfonyloxyethyl)-2-nitrobenzenesulfonamide
- IUPAC
- 2-[(2-nitrophenyl)sulfonyl-[2-(trifluoromethylsulfonyloxy)ethyl]amino]ethyl trifluoromethanesulfonate
Names & synonyms
N,N-Bis-(2-trifluoromethanesulfonyloxyethyl)-2-nitrobenzenesulfonamideSCHEMBL232848
Database identifiers
- PubChem CID
- 86601384
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 938
Related reactions
8 records
Compound notes
Loading…