Basic information
- Standard SMILES
CS(=O)(=O)c1ccc2c(c1)cc(C=O)n2Cc1ccc(F)cc1- InChIKey
MADDLOJVQAPZLQ-UHFFFAOYSA-N- Molecular formula
- C17H14FNO3S
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Fluorobenzyl)-5-methanesulfonylindole-2-carbaldehyde
- IUPAC
- 1-[(4-fluorophenyl)methyl]-5-methylsulfonylindole-2-carbaldehyde
Names & synonyms
SCHEMBL2923938MADDLOJVQAPZLQ-UHFFFAOYSA-N1-(4-fluorobenzyl)-5-methanesulfonylindole-2-carbaldehyde
Database identifiers
- PubChem CID
- 22504374
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 524
Related reactions
7 records
Compound notes
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