2-(2-{[(4-Aminophenyl)Sulfonyl]Amino}-4,6-Dimethyl-5-Pyrimidinyl)Ethanesulfonic Acid

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Properties Simple | Detailed

Formula C14H18N4O5S2
IUPAC Name 2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanesulfonic acid
Molecular Mass 386.447 g·mol−1
Heat of Formation -758.3 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 417.56 Å 3
Surface Area 323.97 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethyl-5-pyrimidinyl]ethanesulfonic acid
  • 2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethylpyrimidin-5-yl]ethanesulfonic acid
  • 2-sulfanilamido-4,6-dimethylpyrimidineethanesulfonic acid
  • 5-pyrimidineethanesulfonic acid, 2-(((4-aminophenyl)sulfonyl)amino)-4,6-dimethyl-
  • dimerasulfa
CAS Number(s)
  • 76391-88-3
InChIKey MOGPSKQQAYUJOK-UHFFFAOYSA-N
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