N,N-diethyl-4-methylbenzenesulfonamide

N,N-diethyl-4-methylbenzenesulfonamide bmse011413 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C11H17NO2S

Natural Isotopic Abundance Mass: 227.32317999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 227.097999789
  • C13N14: 238.13490300700005
  • C12N15: 228.095034682
  • C13N15: 239.13193790000005

InChI string: InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3

IUPAC: N,N-diethyl-4-methylbenzenesulfonamide

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)