N-[(2S)-2-(4-Fluorophenyl)-2-hydroxyethyl]-N-methyl-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-sulfonamide
Basic information
- Standard SMILES
CN(C[C@@H](O)c1ccc(F)cc1)S(=O)(=O)c1csc2c1CCCC2=O- InChIKey
ACYJYWVQAHUGNN-OAHLLOKOSA-N- Molecular formula
- C17H18FNO4S2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.06612856
Names & identifiers
- Preferred name
- N-[(2S)-2-(4-Fluorophenyl)-2-hydroxyethyl]-N-methyl-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-sulfonamide
- IUPAC
- N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonamide
Names & synonyms
SCHEMBL5354506ACYJYWVQAHUGNN-OAHLLOKOSA-NN-[(2S)-2-(4-Fluorophenyl)-2-hydroxyethyl]-N-methyl-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-sulfonamide
Database identifiers
- PubChem CID
- 69415007
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 586
Related reactions
2 records
Compound notes
Loading…