Basic information
- CAS
853097-48-0- Standard SMILES
COCCN(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)c1ccccc1Cl- InChIKey
ACXMCRGBAXETNN-UHFFFAOYSA-N- Molecular formula
- C24H21ClF3NO5S
- Average molar mass
- 527.9 g/mol
- Monoisotopic mass
- 527.0781061
Names & identifiers
- Preferred name
- 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate
- IUPAC
- [3-[[(2-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
Names & synonyms
DTXSID201120142AKOS0218305793-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate853097-48-03-{[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate3-{[2-chloro-N-(2-methoxyethyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Database identifiers
- CAS
853097-48-0- PubChem CID
- 3690501
- DTXSID
DTXSID201120142
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 791
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…