Basic information
- Standard SMILES
Nc1nc2ccc(OS(=O)(=O)c3c(F)cccc3F)cc2s1- InChIKey
NLAIUQRGRYNLHH-UHFFFAOYSA-N- Molecular formula
- C13H8F2N2O3S2
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 341.99444079
Names & identifiers
- Preferred name
- 2-Amino-1,3-benzothiazol-6-yl 2,6-difluorobenzenesulfonate
- IUPAC
- (2-amino-1,3-benzothiazol-6-yl) 2,6-difluorobenzenesulfonate
Names & synonyms
SCHEMBL543995NLAIUQRGRYNLHH-UHFFFAOYSA-N2-amino-1,3-benzothiazol-6-yl 2,6-difluorobenzenesulfonate
Database identifiers
- PubChem CID
- 86622296
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
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