Basic information
- Standard SMILES
CC(CSC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
QVWAEPCGPYCBJL-XJCQOYGMSA-N- Molecular formula
- C23H24ClN3O6S2
- Average molar mass
- 538 g/mol
Names & identifiers
- Preferred name
- 1-[3-[[1-[3-(Aminosulfonyl)-4-chlorophenyl]2,3-dihydro-3-oxo-1H-isoindol-1yl]thio]-2-methyl-1-oxopropyl]-L-proline
- IUPAC
- (2S)-1-[3-[[1-(4-chloro-3-sulfamoylphenyl)-3-oxo-2H-isoindol-1-yl]sulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL11228795QVWAEPCGPYCBJL-XJCQOYGMSA-N1-[3-[[1-[3-(Aminosulfonyl)-4-chlorophenyl]2,3-dihydro-3-oxo-1H-isoindol-1yl]thio]-2-methyl-1-oxopropyl]-L-proline
Database identifiers
- PubChem CID
- 13022693
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 959
Related reactions
1 records
Compound notes
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