3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-fluorophenyl)propanamide
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Basic information
- CAS
723741-12-6- Standard SMILES
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1F- InChIKey
WOADYONRZDYYJE-UHFFFAOYSA-N- Molecular formula
- C16H13FN2O4S
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.05800624
Names & identifiers
- Preferred name
- 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-fluorophenyl)propanamide
- IUPAC
- N-(2-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
- English name
- 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-fluorophenyl)propanamide
- Molecular formula
- C16H13FN2O4S
- Molecular weight
- 348.3488232
Names & synonyms
723741-12-63-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-fluorophenyl)propanamideN-(2-fluorophenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamideN-(2-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamideMLS001147261CHEMBL1711165HMS2970A11STL291216AKOS0032316263-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(2-fluorophenyl)propanamideSMR000673107AO-080/42577257
Show more names
F2749-01403-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(2-fluorophenyl)propanamide
Database identifiers
- CAS
723741-12-6- PubChem CID
- 847955
- ChEMBL
CHEMBL1711165
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 604
Experimental & physicochemical properties
Solubility>52.3 [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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