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Basic information
- Standard SMILES
CCN1Cc2cc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3cn(C)cn3)ccc2C1=O- InChIKey
WSKDPVWAGDVBEZ-UHFFFAOYSA-N- Molecular formula
- C21H21ClN4O3S
- Average molar mass
- 444.9 g/mol
- Monoisotopic mass
- 444.1022894
Names & identifiers
- Preferred name
- 1-Methyl-1H-imidazole-4-sulfonic acid (4-chloro-benzyl)-(2-ethyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl)-amide
- IUPAC
- N-[(4-chlorophenyl)methyl]-N-(2-ethyl-1-oxo-3H-isoindol-5-yl)-1-methylimidazole-4-sulfonamide
Names & synonyms
SCHEMBL1948758WSKDPVWAGDVBEZ-UHFFFAOYSA-N1-Methyl-1H-imidazole-4-sulfonic acid (4-chloro-benzyl)-(2-ethyl-1-oxo-2,3-dihydro-1H-isoindol -5-yl)-amide1-Methyl-1H-imidazole-4-sulfonic acid (4-chloro-benzyl)-(2-ethyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl)-amide
Database identifiers
- PubChem CID
- 49834530
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 722
Related reactions
2 records
Compound notes
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