4-methanesulfonamidobenzamide

4-methanesulfonamidobenzamide bmse011214 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C8H10N2O3S

Natural Isotopic Abundance Mass: 214.24159999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 214.04121319
  • C13N14: 222.06805189400004
  • C12N15: 216.03528297600002
  • C13N15: 224.06212168000005

InChI string: InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)

IUPAC: 4-methanesulfonamidobenzamide

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)