3-[2-(Benzenesulfonyl)prop-2-en-1-yl]-1-methyl-1H-indole
Basic information
- CAS
922139-25-1- Standard SMILES
C=C(Cc1cn(C)c2ccccc12)S(=O)(=O)c1ccccc1- InChIKey
NAMCKSCLSVABGB-UHFFFAOYSA-N- Molecular formula
- C18H17NO2S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.09799996
Names & identifiers
- Preferred name
- 3-[2-(Benzenesulfonyl)prop-2-en-1-yl]-1-methyl-1H-indole
- IUPAC
- 3-[2-(benzenesulfonyl)prop-2-enyl]-1-methylindole
Names & synonyms
922139-25-13-[2-(Benzenesulfonyl)prop-2-en-1-yl]-1-methyl-1H-indoleDTXSID20580132
Database identifiers
- CAS
922139-25-1- PubChem CID
- 15946337
- DTXSID
DTXSID20580132
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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