BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

4-bromo-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

4-bromo-N-[(2R)-2-hydroxypropyl]benzenesulfonamide bmse012002 - Data

4-bromo-N-[(2R)-2-hydroxypropyl]benzenesulfonamide synonyms

Wikipedia:

Graphical representations:

4-bromo-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

View large 3D structure

Molecular Formula: C9H12BrNO3S

Natural Isotopic Abundance Mass: 294.16548

Mono-Isotopic Molecular Masses:

  • C12N14: 292.972126249
  • C13N14: 302.002319791
  • C12N15: 293.96916114199996
  • C13N15: 302.99935468399997

InChI string: InChI=1S/C9H12BrNO3S/c1-7(12)6-11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m1/s1

EU-OPENSCREEN: EOS102716

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)