Basic information
- Standard SMILES
O=C1CCCc2c(S(=O)(=O)NCC(O)c3ccc(F)cc3F)csc21- InChIKey
IJHUNISYHQIAEJ-UHFFFAOYSA-N- Molecular formula
- C16H15F2NO4S2
- Average molar mass
- 387.4 g/mol
Names & identifiers
- Preferred name
- 7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(2,4-difluorophenyl)-2-hydroxy-ethyl]-amide
- IUPAC
- N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonamide
Names & synonyms
SCHEMBL5348824IJHUNISYHQIAEJ-UHFFFAOYSA-N7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(2,4-difluorophenyl)-2-hydroxy-ethyl]-amide7-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid[2-(2,4-difluorophenyl)-2-hydroxy-ethyl]-amide
Database identifiers
- PubChem CID
- 21098677
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 597
Related reactions
3 records
Compound notes
Loading…