Basic information
- Standard SMILES
O=S(=O)(Nc1cc(Cl)ccc1SCc1ccccn1)c1cc2ccccc2o1- InChIKey
UAELASRQYZNJTR-UHFFFAOYSA-N- Molecular formula
- C20H15ClN2O3S2
- Average molar mass
- 430.9 g/mol
Names & identifiers
- Preferred name
- N-{5-chloro-2-[(pyridin-2-ylmethyl)thio]phenyl}-1-benzofuran-2-sulfonamide
- IUPAC
- N-[5-chloro-2-(pyridin-2-ylmethylsulfanyl)phenyl]-1-benzofuran-2-sulfonamide
Names & synonyms
N-{5-chloro-2-[(pyridin-2-ylmethyl)thio]phenyl}-1-benzofuran-2-sulfonamideSCHEMBL9933897CHEMBL6011629UAELASRQYZNJTR-UHFFFAOYSA-NBDBM327324US9663460, Example 128
Database identifiers
- PubChem CID
- 57377779
- ChEMBL
CHEMBL6011629
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 615
Related reactions
6 records
Compound notes
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