Basic information
- Standard SMILES
CCCN(CCOS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C- InChIKey
TZDWHKJIKHWIBO-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO5S3
- Average molar mass
- 502.1 g/mol
Names & identifiers
- Preferred name
- 2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethyl 4-methylbenzenesulfonate
- IUPAC
- 2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL3686750
Database identifiers
- PubChem CID
- 58713239
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 787
Related reactions
6 records
Compound notes
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