5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid(4-pyridin-4-yl-2-trifluoromethyl-phenyl)-amide
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Basic information
- Standard SMILES
Cc1c(S(=O)(=O)Nc2ccc(-c3ccncc3)cc2C(F)(F)F)sc2ccc(F)cc12- InChIKey
VTFWNNBQXLMOLC-UHFFFAOYSA-N- Molecular formula
- C21H14F4N2O2S2
- Average molar mass
- 466.5 g/mol
Names & identifiers
- Preferred name
- 5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid(4-pyridin-4-yl-2-trifluoromethyl-phenyl)-amide
- IUPAC
- 5-fluoro-3-methyl-N-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-sulfonamide
Names & synonyms
5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid(4-pyridin-4-yl-2-trifluoromethyl-phenyl)-amideA1AOYSCHEMBL21132975-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-pyridin-4-yl-2-trifluoromethyl-phenyl)-amide
Database identifiers
- PubChem CID
- 24965623
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 724
Related reactions
1 records
Compound notes
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