Basic information
- CAS
360-22-5- Standard SMILES
O=C(NNS(=O)(=O)c1ccccc1)c1cccc(F)c1- InChIKey
VNRXRSLCHAZSDI-UHFFFAOYSA-N- Molecular formula
- C13H11FN2O3S
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.04744155
Names & identifiers
- Preferred name
- 3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
- IUPAC
- N'-(benzenesulfonyl)-3-fluorobenzohydrazide
Names & synonyms
3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide360-22-5RefChem:279518N'-(benzenesulfonyl)-3-fluorobenzohydrazideCHEMBL1587427MLS001207969SCHEMBL20233366DTXSID801237846HMS2823I12BDBM50527333AKOS000614812SMR000514271
Show more names
ST50738745SR-01000311553SR-01000311553-1
Database identifiers
- CAS
360-22-5- PubChem CID
- 809461
- DTXSID
DTXSID801237846- ChEMBL
CHEMBL1587427
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
Solubility2.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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