Basic information
- Standard SMILES
COc1ccc2c(ccn2S(=O)(=O)c2cccc(C#N)c2)c1CN(C)C- InChIKey
ZXGBBWAJEAFBSB-UHFFFAOYSA-N- Molecular formula
- C19H19N3O3S
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- 3-({4-[(Dimethylamino)methyl]-5-methoxy-1H-indol-1-yl}sulfonyl)benzonitrile
- IUPAC
- 3-[4-[(dimethylamino)methyl]-5-methoxyindol-1-yl]sulfonylbenzonitrile
Names & synonyms
SCHEMBL3621464ZXGBBWAJEAFBSB-UHFFFAOYSA-N3-({4-[(Dimethylamino)methyl]-5-methoxy-1H-indol-1-yl}sulfonyl)benzonitrile
Database identifiers
- PubChem CID
- 59513616
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 636
Related reactions
2 records
Compound notes
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