3-(Benzylamino)-4-Phenoxy-5-Sulfamoylbenzoic Acid

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Properties Simple | Detailed

Formula C20H18N2O5S
IUPAC Name 3-(benzylamino)-4-phenoxy-5-sulfamoyl-benzoic acid
Molecular Mass 398.432 g·mol−1
Heat of Formation -555.7 ± 16.7 kJ·mol−1
Dipole Moment 8.33 ± 1.08 D
Volume 445.12 Å 3
Surface Area 347.08 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(benzylamino)-4-(phenoxy)-5-sulfamoyl-benzoic acid
  • 3-benzylamino-4-phenoxy-5-sulfamoylbenzoic acid
  • 4-(phenoxy)-3-(phenylmethylamino)-5-sulfamoyl-benzoic acid
  • 4-(phenoxy)-3-(phenylmethylamino)-5-sulfamoylbenzoic acid
  • benzmetanide
  • benzoic acid, 3-(aminosulfonyl)-4-phenoxy-5-((phenylmethyl)amino)-
  • h 25
  • h-25
CAS Number(s)
  • 28395-11-1
InChIKey UCNWQTMKAPAUHU-UHFFFAOYSA-N
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