Basic information
- Standard SMILES
Nc1cccc(CSc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)c1- InChIKey
OGKKDAAQVSTUTN-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O3S2
- Average molar mass
- 445 g/mol
Names & identifiers
- Preferred name
- N-{2-[(3-aminobenzyl)sulfanyl]-5-chlorophenyl}-1-benzofuran-2-sulfonamide
- IUPAC
- N-[2-[(3-aminophenyl)methylsulfanyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide
Names & synonyms
SCHEMBL9933278CHEMBL5882036OGKKDAAQVSTUTN-UHFFFAOYSA-NBDBM327349US9663460, Example 155N-{2-[(3-aminobenzyl)sulfanyl]-5-chlorophenyl}-1-benzofuran-2-sulfonamideN-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}-1-benzofuran-2-sulfonamide
Database identifiers
- PubChem CID
- 67972007
- ChEMBL
CHEMBL5882036
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 644
Related reactions
4 records
Compound notes
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