P-A-Toluenesulfonamidobenzoic Acid

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Properties Simple | Detailed

Formula C14H13NO4S
IUPAC Name 4-(benzylsulfonylamino)benzoic acid
Molecular Mass 291.322 g·mol−1
Heat of Formation -524.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 323.75 Å 3
Surface Area 295.86 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (benzylsulfonamido)benzoic acid, p-
  • 4'-carboxyphenylmethanesulfonanilide
  • 4-((benzylsulfonyl)amino)benzoic acid
  • 4-(phenylmethylsulfonylamino)benzoic acid
  • bbv-011788
  • benzoic acid, 4-(((phenylmethyl)sulfonyl)amino)- (9ci)
  • benzoic acid, 4-[[(phenylmethyl)sulfonyl]amino]-
  • benzoic acid, p-.alpha.-(toluenesulfonamido)-
  • benzoic acid, p-.alpha.-toluenesulfonamido-
  • benzoic acid, p-alpha-(toluenesulfonamido)-
  • benzoic acid, p-alpha-toluenesulfonamido- (8ci)
  • carinamid
  • carinamide
  • caronamid
  • caronamide
  • n-benzylsulfonyl-p-aminobenzoic acid
  • p-(benzylsulfamido)benzoic acid
  • p-(benzylsulfamyl)benzoic acid
  • p-(benzylsulfonamido)benzoic acid
  • p-.alpha.-(toluenesulfonamido)benzoic acid
  • p-.alpha.-toluenesulfonamidobenzoic acid
  • p-alpha-(toluenesulfonamido)benzoic acid
  • retentin
CAS Number(s)
  • 536-95-8
InChIKey ZOFLWJXPXAHZLI-UHFFFAOYSA-N
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