3-fluoro-5-methylbenzenesulfonamide

3-fluoro-5-methylbenzenesulfonamide bmse011423 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H8FNO2S

Natural Isotopic Abundance Mass: 189.20732319999993

Mono-Isotopic Molecular Masses:

  • C12N14: 189.025977721
  • C13N14: 196.04946158700002
  • C12N15: 190.023012614
  • C13N15: 197.04649648000003

InChI string: InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)

wwPDB CCD: UR1

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)