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

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Properties Simple | Detailed

Formula C19H16N4O5S
IUPAC Name (3z)-3-[[4-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
Molecular Mass 412.419 g·mol−1
Heat of Formation -343.2 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 446.52 Å 3
Surface Area 401.29 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-3-[[4-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]hydrazono]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
  • (3z)-3-[[4-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
  • (3z)-3-[[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]hydrazinylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
  • (3z)-3-[[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
  • (3z)-6-keto-3-[[4-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid
  • 2-hydroxy-5-((4-(((3-methyl-2-pyridinyl)amino)sulfonyl)phenyl)azo)benzoic acid
  • benzoic acid, 2-hydroxy-5-((4-(((3-methyl-2-pyridinyl)amino)sulfonyl)phenyl)azo)
  • benzoic acid, 2-hydroxy-5-((4-(((3-methyl-2-pyridinyl)amino)sulfonyl)phenyl)azo)-
  • ch 74a
  • methylsulfasalazine
CAS Number(s)
  • 42753-53-7
InChIKey QMLVDKSQYBOYNS-HMAPJEAMSA-N
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