N-(5-Ethyl-1,3,4-Thiadiazol-2-Yl)-4-[(6-Methoxy-3,4-Dioxo-1,5-Cyclohexadien-1-Yl)Amino]Benzenesulfonamide

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Properties Simple | Detailed

Formula C17H16N4O5S2
IUPAC Name n-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxo-cyclohexa-1,5-dien-1-yl)amino]benzenesulfonamide
Molecular Mass 420.463 g·mol−1
Heat of Formation -265.8 ± 16.7 kJ·mol−1
Dipole Moment 11.86 ± 1.08 D
Volume 451.61 Å 3
Surface Area 406.18 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-n-sodium-n-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone
  • 4-(n-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone
  • 4-[(3,4-diketo-6-methoxy-1-cyclohexa-1,5-dienyl)amino]-n-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
  • 4-etdsmb
  • benzenesulfonamide, n-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-((6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino)-
  • n-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxo-1-cyclohexa-1,5-dienyl)amino]benzenesulfonamide
  • n-(5-ethyl-1,3,4-thiadiazol-2-yl)-n-sulfanilamido-5-methoxy-1,2-benzoquinone
CAS Number(s)
  • 138833-52-0
InChIKey XFCWHKGIJSOFLE-UHFFFAOYSA-N
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