N-[2-({[(2E)-3-(4-Chlorophenyl)-2-Propen-1-Yl](Methyl)Amino}Methyl)Phenyl]-N-(2-Hydroxyethyl)-4-Methoxybenzenesulfonamide

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Properties Simple | Detailed

Formula C25H35ClN2O4S
IUPAC Name n-[2-[[[(2e,4e)-4-ethylhexa-2,4-dienyl]-methyl-amino]methyl]phenyl]-n-(2-hydroxyethyl)-4-methoxy-benzenesulfonamide chloride
Molecular Mass 495.074 g·mol−1
Heat of Formation -371.1 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 584.17 Å 3
Surface Area 463.08 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(n-(2-hydroxyethyl)-n-(4-methoxybenzenesulfonyl))amino-n-(4-chlorocinnamyl)-n-methylbenzylamine
  • 2-[n-(2-hydroxyethyl)]-n-(4-methoxybenzenesulfonyl)]amino-n-(4-chlorocinnamyl)-n-methylbenzylamine)
  • benzenesulfonamide, n-(2-(((3-(4-chlorophenyl)-2-propenyl)methylamino)methyl)phenyl)-n-(2-hydroxyethyl)-4-methoxy-
  • biomolki2_000049
  • biomolki_000041
  • hsci1_000371
  • insolution™ kn-93
  • kn 93
  • kn-93
  • n-(2-(((3-(4-chlorophenyl)-2-propenyl)methylamino)methyl)phenyl)-n-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
  • n-[2-[[3-(4-chlorophenyl)prop-2-enyl-methyl-amino]methyl]phenyl]-n-(2-hydroxyethyl)-4-methoxy-benzenesulfonamide
  • n-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-n-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
  • n-[2-[[[(e)-3-(4-chlorophenyl)prop-2-enyl]-methyl-amino]methyl]phenyl]-n-(2-hydroxyethyl)-4-methoxy-benzenesulfonamide
  • n-[2-[[[(e)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-n-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CAS Number(s)
  • 139298-40-1
InChIKey LLLQTDSSHZREGW-AATRIKPKSA-N
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