4,7-Methano-1H-isoindole, 2,3,3a,4,7,7a-hexahydro-2-(phenylsulfonyl)-
Basic information
- CAS
7500-02-9- Standard SMILES
O=S(=O)(c1ccccc1)N1CC2C3C=CC(C3)C2C1- InChIKey
AEYDHJVXYFTLNK-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- 4,7-Methano-1H-isoindole, 2,3,3a,4,7,7a-hexahydro-2-(phenylsulfonyl)-
- IUPAC
- 4-(benzenesulfonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
Names & synonyms
4,7-Methano-1H-isoindole, 2,3,3a,4,7,7a-hexahydro-2-(phenylsulfonyl)-78087-47-5NSC 400082NSC4000827500-02-9benzenesulfonyl[?]DTXSID70996502NSC154742NSC-154742NSC-4000822-(Benzenesulfonyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
Database identifiers
- CAS
7500-02-9、78087-47-5- PubChem CID
- 290649
- DTXSID
DTXSID70996502
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…