N-[2-Chloro-5-[(dimethylamino)sulfonyl]phenyl]-2-propenamide
C11H13ClN2O3S
793719-01-4 Copyright (C) 2023 ACS
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.3101    5.3348    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.5400    6.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    6.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764    4.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    2.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <cas.rn>
793719-01-4

> <cas.index.name>
2-Propenamide, N-[2-chloro-5-[(dimethylamino)sulfonyl]phenyl]-

> <molecular.formula>
C11H13ClN2O3S

> <molecular.weight>
288.75

> <density.predicted>
1.364±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.16±0.70    Most Acidic Temp: 25 °C

$$$$
