N-(3-Chloro-4-fluorophenyl)-4-fluoro-3,5-dimethylbenzenesulfonamide
C14H12ClF2NO2S
666699-46-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.1600 5.3347 0.0 0 VAL=6
M  V30 2 N 7.7000 5.3347 0.0 0
M  V30 3 O 6.1600 6.8747 0.0 0
M  V30 4 O 6.1600 3.7947 0.0 0
M  V30 5 C 1.5400 8.0021 0.0 0
M  V30 6 C 1.5400 2.6674 0.0 0
M  V30 7 F 0.0000 5.3347 0.0 0
M  V30 8 Cl 12.3200 2.6674 0.0 0
M  V30 9 F 10.7800 0.0000 0.0 0
M  V30 10 C 4.6200 5.3347 0.0 0
M  V30 11 C 3.8500 6.6685 0.0 0
M  V30 12 C 3.8500 4.0011 0.0 0
M  V30 13 C 2.3100 6.6685 0.0 0
M  V30 14 C 2.3100 4.0011 0.0 0
M  V30 15 C 1.5400 5.3347 0.0 0
M  V30 16 C 8.4700 4.0011 0.0 0
M  V30 17 C 10.0100 4.0011 0.0 0
M  V30 18 C 7.7000 2.6674 0.0 0
M  V30 19 C 10.7800 2.6674 0.0 0
M  V30 20 C 8.4700 1.3336 0.0 0
M  V30 21 C 10.0100 1.3336 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 2 1 4
M  V30 4 1 1 10
M  V30 5 1 2 16
M  V30 6 1 5 13
M  V30 7 1 6 14
M  V30 8 1 7 15
M  V30 9 1 8 19
M  V30 10 1 9 21
M  V30 11 2 10 11
M  V30 12 1 10 12
M  V30 13 1 11 13
M  V30 14 2 12 14
M  V30 15 2 13 15
M  V30 16 1 14 15
M  V30 17 2 16 17
M  V30 18 1 16 18
M  V30 19 1 17 19
M  V30 20 2 18 20
M  V30 21 2 19 21
M  V30 22 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
666699-46-3

> <cas.index.name>
Benzenesulfonamide, N-(3-chloro-4-fluorophenyl)-4-fluoro-3,5-dimethyl-

> <molecular.formula>
C14H12ClF2NO2S

> <molecular.weight>
331.77

> <boiling.point.predicted>
437.7±55.0 °C    Press: 760 Torr

> <density.predicted>
1.433±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.01±0.10    Most Acidic Temp: 25 °C

$$$$
