(4-fluoro-2-methylphenyl)methanesulfonamide

(4-fluoro-2-methylphenyl)methanesulfonamide bmse011112 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H10FNO2S

Natural Isotopic Abundance Mass: 203.23390319999993

Mono-Isotopic Molecular Masses:

  • C12N14: 203.041627785
  • C13N14: 211.06846648900003
  • C12N15: 204.038662678
  • C13N15: 212.06550138200004

InChI string: InChI=1S/C8H10FNO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)

wwPDB CCD: U1V

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)