N-(2-{4-[(Cyclohexylcarbamoyl)Sulfamoyl]Phenyl}Ethyl)-3-Methyl-1H-Pyrazole-1-Carboxamide

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Formula C20H27N5O4S
IUPAC Name n-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-methyl-pyrazol-1-ium-2-ide-1-carboxamide
Molecular Mass 433.524 g·mol−1
Heat of Formation -555.0 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 523.84 Å 3
Surface Area 422.93 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazole-1-carboxamide, n-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-3-methyl-
  • n-(4-(2-(3-methylpyrazole-1-carbonamide)ethyl)benzenesulfonyl)-n-cyclohexylurea
  • n-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-methyl-pyrazole-1-carboxamide
  • n-[2-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-3-methyl-1-pyrazolecarboxamide
CAS Number(s)
  • 67514-88-9
InChIKey SEFWPFZOECXWQL-UHFFFAOYSA-N
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