Basic information
- Standard SMILES
CN1CCN(c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1- InChIKey
KMTAAPCWBXHPGM-UHFFFAOYSA-N- Molecular formula
- C19H21N3O2S
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.13544809
Names & identifiers
- Preferred name
- N-Benzenesulfonyl-5-(4-methylpiperazin-1-yl)-indole
- IUPAC
- 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)indole
Names & synonyms
CHEMBL4753562SCHEMBL4307649KMTAAPCWBXHPGM-UHFFFAOYSA-NBDBM50562703N-Benzenesulfonyl-5-(4-methylpiperazin-1-yl)-indole
Database identifiers
- PubChem CID
- 22015412
- ChEMBL
CHEMBL4753562
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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