N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide

N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide bmse011194 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H13N3O2S

Natural Isotopic Abundance Mass: 203.26201999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 203.072847671
  • C13N14: 210.09633153700003
  • C12N15: 206.06395235000002
  • C13N15: 213.08743621600004

InChI string: InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)

IUPAC: N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide

wwPDB CCD: K2S

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)