Basic information
- Standard SMILES
COc1cc(I)c2c(c1OS(=O)(=O)c1ccccn1)CNC2=O- InChIKey
ZQFYXDJOFYVXHE-UHFFFAOYSA-N- Molecular formula
- C14H11IN2O5S
- Average molar mass
- 446.22 g/mol
- Monoisotopic mass
- 445.94334
Names & identifiers
- Preferred name
- 2-Pyridinesulfonic acid,2,3-dihydro-7-iodo-5-methoxy-1-oxo-1h-isoindol-4-yl ester
- IUPAC
- (7-iodo-5-methoxy-1-oxo-2,3-dihydroisoindol-4-yl) pyridine-2-sulfonate
Names & synonyms
2-pyridinesulfonic acid,2,3-dihydro-7-iodo-5-methoxy-1-oxo-1h-isoindol-4-yl ester913393-26-7SCHEMBL3037080ZQFYXDJOFYVXHE-UHFFFAOYSA-N4-(2-pyridinesulfonyloxy)-5-methoxy-7-iodoisoindolinone
Database identifiers
- PubChem CID
- 76847883
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 552
Related reactions
2 records
Compound notes
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