Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=S(=O)(Nc1cc(Cl)ccc1SCc1cccnc1F)c1cc2ccccc2o1- InChIKey
NTKSATNPIKHLHH-UHFFFAOYSA-N- Molecular formula
- C20H14ClFN2O3S2
- Average molar mass
- 448.9 g/mol
- Monoisotopic mass
- 448.0118405
Names & identifiers
- Preferred name
- N-(5-chloro-2-{[(2-fluoropyridin-3-yl)methyl]thio}phenyl)-1-benzofuran-2-sulfonamide
- IUPAC
- N-[5-chloro-2-[(2-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-1-benzofuran-2-sulfonamide
Names & synonyms
SCHEMBL9934868CHEMBL5910276NTKSATNPIKHLHH-UHFFFAOYSA-NBDBM327372US9663460, Example 179N-(5-chloro-2-{[(2-fluoropyridin-3-yl)methyl]-thio}-phenyl)-1-benzofuran-2-sulfonamideN-(5-chloro-2-{[(2-fluoropyridin-3-yl)methyl]thio}phenyl)-1-benzofuran-2-sulfonamide
Database identifiers
- PubChem CID
- 67972731
- ChEMBL
CHEMBL5910276
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 650
Related reactions
7 records
Compound notes
Loading…