5-(4-Cyanophenyl)-3-{[(2-Methylphenyl)Sulfonyl]Amino}-2-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C19H14N2O4S2
IUPAC Name 5-(4-cyanophenyl)-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid
Molecular Mass 398.455 g·mol−1
Heat of Formation -324.3 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 436.97 Å 3
Surface Area 361.02 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-thiophenecarboxylic acid, 5-(4-cyanophenyl)-3-[[(2-methylphenyl)sulfonyl]amino]-
  • 5-(4-cyanophenyl)-3-[(2-methylphenyl)sulfonylamino]-2-thenoic acid
  • 5-(4-cyanophenyl)-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid
  • 5-(4-cyanophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
  • cct
InChIKey RYXAHMSZLLIPRO-UHFFFAOYSA-N
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