Basic information
- Standard SMILES
Nc1cccc(CSc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)c1- InChIKey
VDRVOLDAJDQYCA-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O2S2
- Average molar mass
- 404.9 g/mol
Names & identifiers
- Preferred name
- N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}benzenesulfonamide
- IUPAC
- N-[2-[(3-aminophenyl)methylsulfanyl]-5-chlorophenyl]benzenesulfonamide
Names & synonyms
N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}benzenesulfonamideSCHEMBL9933873CHEMBL6062641VDRVOLDAJDQYCA-UHFFFAOYSA-NBDBM327411US9663460, Example 218
Database identifiers
- PubChem CID
- 67972298
- ChEMBL
CHEMBL6062641
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 534
Related reactions
6 records
Compound notes
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