4-(3-Methyl-1-piperazinyl)-1-(2-methylbenzenesulfonyl)-1H-indole
Basic information
- Standard SMILES
Cc1ccccc1S(=O)(=O)n1ccc2c(N3CCNC(C)C3)cccc21- InChIKey
FBLWCALBGOREMV-UHFFFAOYSA-N- Molecular formula
- C20H23N3O2S
- Average molar mass
- 369.5 g/mol
Names & identifiers
- Preferred name
- 4-(3-Methyl-1-piperazinyl)-1-(2-methylbenzenesulfonyl)-1H-indole
- IUPAC
- 1-(2-methylphenyl)sulfonyl-4-(3-methylpiperazin-1-yl)indole
Names & synonyms
4-(3-Methyl-1-piperazinyl)-1-(2-methylbenzenesulfonyl)-1H-indole4-(3-Methyl-1-piperazinyl]-1-(2-methylbenzenesulfonyl)-1H-indoleSCHEMBL4310052FBLWCALBGOREMV-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22015381
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 590
Related reactions
3 records
Compound notes
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