4-[(Butylcarbamoyl)Sulfamoyl]Benzoic Acid

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Properties Simple | Detailed

Formula C12H16N2O5S
IUPAC Name 4-(butylcarbamoylsulfamoyl)benzoic acid
Molecular Mass 300.331 g·mol−1
Heat of Formation -874.3 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 341.28 Å 3
Surface Area 282.52 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butyl-3-(4-carboxyphenyl)sulfonylurea
  • 4-(((butylamino)carbonyl)amino)sulfonylbenzoic acid
  • 4-[(butylamino-oxomethyl)sulfamoyl]benzoic acid
  • carboxytolbutamide
  • n-(4-carboxybenzenesulfonyl)-n-butylurea
  • tolbutamide carboxylic acid
CAS Number(s)
  • 2224-10-4
InChIKey GCMVATDSSHTCOS-UHFFFAOYSA-N
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