BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

3-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

3-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide bmse011954 - Data

3-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide synonyms

Wikipedia:

Graphical representations:

3-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

View large 3D structure

Molecular Formula: C12H11FN2O2S

Natural Isotopic Abundance Mass: 266.2913431999999

Mono-Isotopic Molecular Masses:

  • C12N14: 266.052526822
  • C13N14: 278.0927848780001
  • C12N15: 268.046596608
  • C13N15: 280.08685466400004

InChI string: InChI=1S/C12H11FN2O2S/c13-11-4-1-5-12(7-11)18(16,17)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2

IUPAC: b'3-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide'

EU-OPENSCREEN: EOS102665

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)