4-Azido-2-Methoxy-5-(Methylsulfamoyl)-N-({(2S)-1-[(2,2,3,3,3-~3~H_5_)Propyl]-2-Pyrrolidinyl}Methyl)Benzamide

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Properties Simple | Detailed

Formula C17H21N6O4ST5
IUPAC Name 4-azido-2-methoxy-5-(methylsulfamoyl)-n-[[(1r,2s)-1-propylpyrrolidin-2-yl]methyl]benzamide
Molecular Mass 420.532 g·mol−1
Heat of Formation -331.6 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 482.32 Å 3
Surface Area 417.13 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 4-azido-2-methoxy-5-(methylsulfamoyl)-n-[[(2s)-1-(2,2,3,3,3-pentatritiopropyl)-2-pyrrolidinyl]methyl]benzamide
  • 4-azido-2-methoxy-5-(methylsulfamoyl)-n-[[(2s)-1-(2,2,3,3,3-pentatritiopropyl)pyrrolidin-2-yl]methyl]benzamide
  • 4-azidosulpiride
  • azidosulpride
CAS Number(s)
  • 98537-17-8
InChIKey WJSRMPXRBRNEAZ-ZEYXBXHISA-N
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