(3Z)-6-Oxo-3-{[4-(2-Pyridinylsulfamoyl)Phenyl]Hydrazono}-1,4-Cyclohexadiene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H14N4O5S
IUPAC Name (3z)-6-oxo-3-[[4-(2-pyridylsulfamoyl)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid
Molecular Mass 398.393 g·mol−1
Heat of Formation -307.2 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 426.51 Å 3
Surface Area 384.37 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -2.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-6-keto-3-[[4-(2-pyridylsulfamoyl)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid
  • (3z)-6-oxo-3-[[4-(2-pyridylsulfamoyl)phenyl]hydrazono]-1-cyclohexa-1,4-dienecarboxylic acid
  • (3z)-6-oxo-3-[[4-(2-pyridylsulfamoyl)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid
  • 2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid
  • 2-hydroxy-5-[(e)-{4-[(pyridin-2-ylamino)sulfonyl]phenyl}diazenyl]benzoic acid
  • d00448
  • salazosulfapyridine
  • salazosulfapyridine (jp15)
  • salicylazosulfapyridine
  • sas
  • sulfasalazine
  • sulfasalazine (usp/inn)
  • sulphasalazine, n-
CAS Number(s)
  • 599-79-1
InChIKey OQANPHBRHBJGNZ-BKUYFWCQSA-N
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