2-Thiophenecarboxamide, N-[3-chloro-5-[(methylsulfonyl)amino]phenyl]-4-(3-met...
C18H16ClN3O3S2
2973395-71-8 Copyright (C) 2024 ACS
 27 29  0  0  0  0  0  0  0  0999 V2000
    2.7844    7.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3658    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3658    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0344    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3681    3.8501    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   17.7018    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5981    2.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1381    5.1838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.8712    6.1517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6263    6.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3669    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0333    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7006    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
2973395-71-8

> <cas.index.name>
2-Thiophenecarboxamide, N-[3-chloro-5-[(methylsulfonyl)amino]phenyl]-4-(3-methyl-2-pyridinyl)-

> <molecular.formula>
C18H16ClN3O3S2

> <molecular.weight>
421.92

> <density.predicted>
1.480±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.959±0.10    Most Acidic Temp: 25 °C

$$$$
