Basic information
- Standard SMILES
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCSCC1- InChIKey
BNEFRYFCLONTDV-UHFFFAOYSA-N- Molecular formula
- C15H17ClN2O4S2
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.0318271
Names & identifiers
- Preferred name
- Ethyl 5-chloro3-(thiomorpholin-4-ylsulfonyl)-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-chloro-3-thiomorpholin-4-ylsulfonyl-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL2930713BNEFRYFCLONTDV-UHFFFAOYSA-NEthyl 5-chloro3-(thiomorpholin-4-ylsulfonyl)-1H-indole-2-carboxylate
Database identifiers
- PubChem CID
- 68445271
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 562
Related reactions
1 records
Compound notes
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