2,6-Dichloro-4-[2-(1-piperazinyl)-4-pyridinyl]-N-(1,3,5-trimethyl-1H-pyrazol-...
C21H24Cl2N6O2S
1215010-55-1 Copyright (C) 2025 ACS
 32 35  0  0  0  0  0  0  0  0999 V2000
   12.0033    5.3901    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   13.3370    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    4.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2333    6.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    2.3101    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.9302    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.3978    7.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6872    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6396    5.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0776    6.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8318    3.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1081    4.8719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3381    3.5382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 N   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 10  1  0  0  0  0
  2 16  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <cas.rn>
1215010-55-1

> <cas.index.name>
Benzenesulfonamide, 2,6-dichloro-4-[2-(1-piperazinyl)-4-pyridinyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-

> <molecular.formula>
C21H24Cl2N6O2S

> <molecular.weight>
495.43

> <boiling.point.predicted>
684.269±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.488±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.037±0.50    Most Acidic Temp: 25 °C

$$$$
