Basic information
- CAS
3532-46-5- Standard SMILES
CCS(=O)(=O)C1(c2ccccc2)c2ccccc2C(=O)N1c1ccccc1- InChIKey
YTTHTPUSZAFDKY-UHFFFAOYSA-N- Molecular formula
- C22H19NO3S
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.10856464
Names & identifiers
- Preferred name
- 3-Ethylsulfonyl-2,3-diphenylisoindol-1-one
- IUPAC
- 3-ethylsulfonyl-2,3-diphenylisoindol-1-one
Names & synonyms
3532-46-53-ethylsulfonyl-2,3-diphenylisoindol-1-oneNSC67325DTXSID20290204NSC-673253-(Ethanesulfonyl)-2,3-diphenyl-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
3532-46-5- PubChem CID
- 249253
- DTXSID
DTXSID20290204
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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