Basic information
- Standard SMILES
Nc1cccc(CSc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)cc2F)c1- InChIKey
JLBJYSTUMLVMAS-UHFFFAOYSA-N- Molecular formula
- C19H15Cl2FN2O2S2
- Average molar mass
- 457.4 g/mol
Names & identifiers
- Preferred name
- N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}-4-chloro-2-fluorobenzenesulfonamide
- IUPAC
- N-[2-[(3-aminophenyl)methylsulfanyl]-5-chlorophenyl]-4-chloro-2-fluorobenzenesulfonamide
Names & synonyms
N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}-4-chloro-2-fluorobenzenesulfonamideSCHEMBL9935556CHEMBL5956326JLBJYSTUMLVMAS-UHFFFAOYSA-NBDBM327403US9663460, Example 210
Database identifiers
- PubChem CID
- 67973018
- ChEMBL
CHEMBL5956326
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 607
Related reactions
6 records
Compound notes
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