N-[3-({4-[(5-Chloro-1,3-Benzodioxol-4-Yl)Amino]-2-Pyrimidinyl}Amino)Phenyl]Methanesulfonamide

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Formula C18H16ClN5O4S
IUPAC Name n-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
Molecular Mass 433.869 g·mol−1
Heat of Formation -298.1 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 455.75 Å 3
Surface Area 375.63 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey KQGTYXRWSIBDOZ-UHFFFAOYSA-N
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