Basic information
- Standard SMILES
O=S(=O)(Nc1cc(Cl)ccc1SCCc1ccccn1)c1cc2ccccc2o1- InChIKey
PCEZOZORGUDSHF-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O3S2
- Average molar mass
- 445 g/mol
Names & identifiers
- Preferred name
- N-{5-chloro-2-[(2-pyridin-2-ylethyl)thio]phenyl}-1-benzofuran-2-sulfonamide
- IUPAC
- N-[5-chloro-2-(2-pyridin-2-ylethylsulfanyl)phenyl]-1-benzofuran-2-sulfonamide
Names & synonyms
N-{5-chloro-2-[(2-pyridin-2-ylethyl)thio]phenyl}-1-benzofuran-2-sulfonamideSCHEMBL9934237CHEMBL5893946PCEZOZORGUDSHF-UHFFFAOYSA-NBDBM327363US9663460, Example 170
Database identifiers
- PubChem CID
- 67972452
- ChEMBL
CHEMBL5893946
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 630
Related reactions
7 records
Compound notes
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