Basic information
- Standard SMILES
O=C(OCN1C(=O)c2ccccc2S1(=O)=O)c1ccncc1- InChIKey
OYGHFNOQHSQCID-UHFFFAOYSA-N- Molecular formula
- C14H10N2O5S
- Average molar mass
- 318.31 g/mol
Names & identifiers
- Preferred name
- 2-Saccharinylmethyl pyridine-4-carboxylate
- IUPAC
- (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl pyridine-4-carboxylate
Names & synonyms
SCHEMBL7304713OYGHFNOQHSQCID-UHFFFAOYSA-N2-saccharinylmethyl pyridine-4-carboxylate
Database identifiers
- PubChem CID
- 9861795
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 550
Related reactions
2 records
Compound notes
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