Basic information
- CAS
646040-51-9- Standard SMILES
O=C(O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1- InChIKey
VLEQBFMNXXOEKI-UHFFFAOYSA-N- Molecular formula
- C15H9F6NO4S
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 413.01564791
Names & identifiers
- Preferred name
- 3-{[3,5-Bis(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
- IUPAC
- 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
Names & synonyms
3-{[3,5-Bis(trifluoromethyl)phenyl]sulfamoyl}benzoic acid646040-51-9SCHEMBL5226880DTXSID70649743VLEQBFMNXXOEKI-UHFFFAOYSA-N
Database identifiers
- CAS
646040-51-9- PubChem CID
- 25755976
- DTXSID
DTXSID70649743
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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