2',6'-Dichloro-5,7-Dimethoxy-3'-Methyl[1,2,4]Triazolo[1,5-A]Pyrimidine-2-Sulfonanilide

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Formula C14H14Cl2N5O4S+
IUPAC Name n-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
Molecular Mass 419.263 g·mol−1
Heat of Formation -267.4 ± 16.7 kJ·mol−1
Dipole Moment 8.99 ± 1.08 D
Volume 417.82 Å 3
Surface Area 360.44 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide, n-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-
  • metosulam
  • n-(2,6-dichloro-3-methyl-phenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
  • n-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-1,2,4-triazolo-(1,5a)-pyrimidine-2-sulfonamide
CAS Number(s)
  • 139528-85-1
InChIKey VGHPMIFEKOFHHQ-UHFFFAOYSA-N
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