N-(2-Aminoethyl)-N-(2-(4-Chlorocinnamylamino)Ethyl)-5-Isoquinolinesulfonamide

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Properties Simple | Detailed

Formula C22H25ClN4O2S
IUPAC Name n-(2-aminoethyl)-n-[2-[[(e)-3-(4-chlorophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide
Molecular Mass 444.978 g·mol−1
Heat of Formation -6.8 ± 16.7 kJ·mol−1
Dipole Moment 9.64 ± 1.08 D
Volume 525.42 Å 3
Surface Area 384.53 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 5-isoquinolinesulfonamide, n-(2-aminoethyl)-n-(2-((3-(4-chlorophenyl)-2-propenyl)amino)ethyl)-
  • n-(2-aminoethyl)-n-[2-[[(e)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide
  • n-(2-aminoethyl)-n-[2-[[(e)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
  • w 66
  • w-66
CAS Number(s)
  • 143306-00-7
InChIKey DSFZLDPXONYEAS-NSCUHMNNSA-N
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