Basic information
- Standard SMILES
O=C(NCc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Cl)cc1Cl- InChIKey
MOECHAZWNVXNBE-UHFFFAOYSA-N- Molecular formula
- C15H9Cl3F3NO3S
- Average molar mass
- 446.7 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-({[3-chloro-4-(trifluoromethyl)benzyl]amino}carbonyl)benzenesulfonyl chloride
- IUPAC
- 3-chloro-4-[[3-chloro-4-(trifluoromethyl)phenyl]methylcarbamoyl]benzenesulfonyl chloride
Names & synonyms
3-chloro-4-({[3-chloro-4-(trifluoromethyl)benzyl]amino}carbonyl)benzenesulfonyl chlorideSCHEMBL3163021
Database identifiers
- PubChem CID
- 57732116
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 611
Related reactions
6 records
Compound notes
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