Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NN1CCN(Cc2ccccc2)CC1- InChIKey
YFKAFGMNNDKGRL-UHFFFAOYSA-N- Molecular formula
- C21H24N4O4S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.15182643
Names & identifiers
- Preferred name
- 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethanesulfonic acid (4-benzyl-piperazin-1-yl)-amide
- IUPAC
- N-(4-benzylpiperazin-1-yl)-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
Names & synonyms
SCHEMBL221423YFKAFGMNNDKGRL-UHFFFAOYSA-N2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethanesulfonic acid (4-benzyl-piperazin-1-yl)-amide
Database identifiers
- PubChem CID
- 66624847
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 700
Related reactions
2 records
Compound notes
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