2-Bromo-4,5-Dimethoxy-N-[3-{[(3R)-1-Methyl-3-Pyrrolidinyl]Oxy}-4-(Trifluoromethyl)Phenyl]Benzenesulfonamide

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Formula C20H22BrF3N2O5S
IUPAC Name 2-bromo-4,5-dimethoxy-n-[3-[(1s,3r)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
Molecular Mass 539.363 g·mol−1
Heat of Formation -1290.2 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 533.06 Å 3
Surface Area 404.94 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-4,5-dimethoxy-n-[3-[(3r)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
  • 2-bromo-4,5-dimethoxy-n-[3-[[(3r)-1-methyl-3-pyrrolidinyl]oxy]-4-(trifluoromethyl)phenyl]benzenesulfonamide
InChIKey BPOWQJYAMDEAFF-CYBMUJFWSA-N
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Elements C F H O N S Br