5-Bromo-N-phenyl-2-thiophenesulfonamide
C10H8BrNO2S2
55854-43-8 Copyright (C) 2024 ACS
 16 17  0  0  0  0  0  0  0  0999 V2000
    5.3348    1.3337    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.0012    0.5637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1048    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5648    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6376    2.4608    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8296    3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0755    1.4774    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3359    3.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8737    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  6  1  0  0  0  0
  2 11  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <cas.rn>
55854-43-8

> <cas.index.name>
2-Thiophenesulfonamide, 5-bromo-N-phenyl-

> <molecular.formula>
C10H8BrNO2S2

> <molecular.weight>
318.21

> <boiling.point.predicted>
435.424±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.727±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.560±0.48    Most Acidic Temp: 25 °C

$$$$
