Basic information
- Standard SMILES
CC1(C)CNCc2cc(S(=O)(=O)n3ccc4ccc(Cl)cc43)ccc21- InChIKey
IGQFWKFEGMZUIK-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O2S
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 374.0855767
Names & identifiers
- Preferred name
- 7-(6-Chloro-indole-1-sulfonyl)4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline
- IUPAC
- 7-(6-chloroindol-1-yl)sulfonyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
Names & synonyms
SCHEMBL6332940IGQFWKFEGMZUIK-UHFFFAOYSA-N7-(6-Chloro-indole-1-sulfonyl)-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline7-(6-Chloro-indole-1-sulfonyl)4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline
Database identifiers
- PubChem CID
- 10199443
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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