Basic information
- CAS
63735-41-1- Standard SMILES
O=C1c2ccccc2C(=O)N1CS(=O)(=O)Cc1ccccc1- InChIKey
KJTCRDMZLBUUAV-UHFFFAOYSA-N- Molecular formula
- C16H13NO4S
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.05652907
Names & identifiers
- Preferred name
- 2-[(Phenylmethanesulfonyl)methyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(benzylsulfonylmethyl)isoindole-1,3-dione
Names & synonyms
63735-41-1DTXSID304949182-[(Phenylmethanesulfonyl)methyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
63735-41-1- PubChem CID
- 12372599
- DTXSID
DTXSID30494918
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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