Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(C#N)cccc32)cc1- InChIKey
OIWHUFPOHDKMFT-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2S
- Average molar mass
- 296.3 g/mol
Names & identifiers
- Preferred name
- 1-Tosyl-1H-indole-4-carbonitrile
- IUPAC
- 1-(4-methylphenyl)sulfonylindole-4-carbonitrile
Names & synonyms
1-TOSYL-1H-INDOLE-4-CARBONITRILE31271-86-01-(4-methylbenzenesulfonyl)-1H-indole-4-carbonitrile1-[(4-methylphenyl)sulfonyl]-1H-indole-4-carbonitrileSCHEMBL2023767OIWHUFPOHDKMFT-UHFFFAOYSA-NDB-336997
Database identifiers
- PubChem CID
- 13716375
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 522
Related reactions
3 records
Compound notes
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