Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4Cl)CC3)C2=O)cc1- InChIKey
VDLABIYECCNMPY-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O5S2
- Average molar mass
- 497 g/mol
Names & identifiers
- Preferred name
- 8-(2-Chloro-benzenesulfonyl)-2-(4-ethanesulfonyl-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 8-(2-chlorophenyl)sulfonyl-2-(4-ethylsulfonylphenyl)-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
SCHEMBL744566VDLABIYECCNMPY-UHFFFAOYSA-N8-(2-Chloro-benzenesulfonyl)-2-(4-ethanesulfonyl-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
Database identifiers
- PubChem CID
- 59577880
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 896
Related reactions
2 records
Compound notes
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