Basic information
- Standard SMILES
O=C(Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1)C1CCNCC1- InChIKey
WYYCGFNBTXWJSD-UHFFFAOYSA-N- Molecular formula
- C19H18FN3O4S2
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.07227657
Names & identifiers
- Preferred name
- 4-Fluorobenzenesulfonic 2-[(piperidine-4-carbonyl)amino]-benzothiazol-6-yl ester
- IUPAC
- [2-(piperidine-4-carbonylamino)-1,3-benzothiazol-6-yl] 4-fluorobenzenesulfonate
Names & synonyms
SCHEMBL4397027WYYCGFNBTXWJSD-UHFFFAOYSA-N4-fluorobenzenesulfonic 2-[(piperidine-4-carbonyl)amino]-benzothiazol-6-yl ester4-fluorobenzenesulfonic 2-[(piperidine-4-carbonyl)amino]benzo-thiazol-6-yl ester
Database identifiers
- PubChem CID
- 57980845
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 675
Related reactions
4 records
Compound notes
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