Basic information
- Standard SMILES
O=C(NCc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Cl)cc1- InChIKey
KRDKZNSBLAXPMX-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2F3NO3S
- Average molar mass
- 412.2 g/mol
- Monoisotopic mass
- 410.9710542
Names & identifiers
- Preferred name
- 4-([[3-Chloro-4-(trifluoromethyl)benzyl]amino]carbonyl)benzenesulfonyl chloride
- IUPAC
- 4-[[3-chloro-4-(trifluoromethyl)phenyl]methylcarbamoyl]benzenesulfonyl chloride
Names & synonyms
4-([[3-Chloro-4-(trifluoromethyl)benzyl]amino]carbonyl)benzenesulfonyl chloride4-({[3-chloro-4-(trifluoromethyl)benzyl]amino}carbonyl)benzenesulfonyl chlorideSCHEMBL3154391
Database identifiers
- PubChem CID
- 57731928
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 572
Related reactions
5 records
Compound notes
Loading…