N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-methylbenzenesulfonamide
Basic information
- CAS
693239-74-6- Standard SMILES
Cc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F- InChIKey
JVCAXPTUXSMQRU-UHFFFAOYSA-N- Molecular formula
- C15H14FNO4S
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.06275726
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-methylbenzenesulfonamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-methylbenzenesulfonamide
Names & synonyms
693239-74-6N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-methylbenzenesulfonamideN-[(2H-1,3-benzodioxol-5-yl)methyl]-4-fluoro-3-methylbenzene-1-sulfonamideMLS001206503CHEMBL1574628DTXSID801321853HMS2828E07N-Benzo[1,3]dioxol-5-ylmethyl-4-fluoro-3-methyl-benzenesulfonamideAKOS000601106UPCMLD0ENAT5950873:001SMR000523413ST062358
Show more names
AP-263/41670568Z283686992(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)[(4-fluoro-3-methylphenyl)sulfonyl]ami ne
Database identifiers
- CAS
693239-74-6- PubChem CID
- 892399
- DTXSID
DTXSID801321853- ChEMBL
CHEMBL1574628
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 480
Experimental & physicochemical properties
Solubility46.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…