Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)c(C(C)=O)cn2S(=O)(=O)c1ccccc1- InChIKey
SBWJSGFEPMCBSA-UHFFFAOYSA-N- Molecular formula
- C18H15NO5S
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- 3-Acetyl-1-benzenesulfonylindole-5-carboxylic acid methyl ester
- IUPAC
- methyl 3-acetyl-1-(benzenesulfonyl)indole-5-carboxylate
Names & synonyms
SCHEMBL6765180SBWJSGFEPMCBSA-UHFFFAOYSA-N3-acetyl-1-benzenesulfonylindole-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69890280
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 620
Related reactions
4 records
Compound notes
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