Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1- InChIKey
PBYIMTPKBRBJMY-UHFFFAOYSA-N- Molecular formula
- C23H19NO5S
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- 4-(1,3-Dioxoisoindolin-2-yl)phenethyl 4-methylbenzenesulfonate
- IUPAC
- 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL13517387PBYIMTPKBRBJMY-UHFFFAOYSA-N4-(1,3-Dioxoisoindolin-2-yl)phenethyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86673015
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 705
Related reactions
2 records
Compound notes
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