Basic information
- Standard SMILES
CC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12- InChIKey
DNDMNPLPNYMHGJ-UHFFFAOYSA-N- Molecular formula
- C17H15NO3S
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone
- IUPAC
- 1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanone
Names & synonyms
104142-24-71-[1-(Toluene-4-sulfonyl)-1H-indol-3-yl]-ethanone1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanoneF2135-0643NSC6173221-(1-tosyl-1H-indol-3-yl)ethanone3-acetyl-1-tosylindole1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanoneSCHEMBL949348CHEMBL1084975DNDMNPLPNYMHGJ-UHFFFAOYSA-NSMSSF-0017364
Show more names
1-(1-tosyl-3-indolyl)-1-ethanoneAKOS005206688CCG-355637NSC-6173221-(1-tosyl-1H-indol-3-yl)ethan-1-one1-[1-(p-tolylsulfonyl)indol-3-yl]ethanone(Toluene-4-sulfonyl-1H-indol-3-yl]-ethanone1-[(Toluene-4-sulfonyl)-1H-indol-3-yl]-ethanone
Database identifiers
- PubChem CID
- 357794
- ChEMBL
CHEMBL1084975- Nikkaji
- J887.467K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 517
Related reactions
2 records
Compound notes
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