N-[3-[[(4-Fluorophenyl)sulfonyl]amino]-4-methoxyphenyl][1,1′-biphenyl]-4-carb...
C26H21FN2O4S
727699-84-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  34 37 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 2.3101 6.6685 0.0 0
M  V30 2 S 3.0801 5.3348 0.0 0 VAL=6
M  V30 3 O 4.4137 6.1048 0.0 0
M  V30 4 O 1.7464 4.5648 0.0 0
M  V30 5 O 0.7700 9.3360 0.0 0
M  V30 6 C 0.0000 10.6697 0.0 0
M  V30 7 N 6.9302 9.3360 0.0 0
M  V30 8 C 7.7002 10.6697 0.0 0
M  V30 9 O 6.9302 12.0033 0.0 0
M  V30 10 F 6.1601 0.0000 0.0 0
M  V30 11 C 3.0801 8.0022 0.0 0
M  V30 12 C 2.3101 9.3360 0.0 0
M  V30 13 C 4.6201 8.0022 0.0 0
M  V30 14 C 3.0801 10.6697 0.0 0
M  V30 15 C 5.3901 9.3360 0.0 0
M  V30 16 C 4.6201 10.6697 0.0 0
M  V30 17 C 3.8501 4.0012 0.0 0
M  V30 18 C 3.0801 2.6673 0.0 0
M  V30 19 C 5.3901 4.0012 0.0 0
M  V30 20 C 3.8501 1.3337 0.0 0
M  V30 21 C 6.1601 2.6673 0.0 0
M  V30 22 C 5.3901 1.3337 0.0 0
M  V30 23 C 9.2402 10.6697 0.0 0
M  V30 24 C 10.0102 9.3360 0.0 0
M  V30 25 C 10.0102 12.0033 0.0 0
M  V30 26 C 11.5503 9.3360 0.0 0
M  V30 27 C 11.5503 12.0033 0.0 0
M  V30 28 C 12.3203 10.6697 0.0 0
M  V30 29 C 13.8603 10.6697 0.0 0
M  V30 30 C 14.6303 12.0033 0.0 0
M  V30 31 C 14.6303 9.3360 0.0 0
M  V30 32 C 16.1704 12.0033 0.0 0
M  V30 33 C 16.1704 9.3360 0.0 0
M  V30 34 C 16.9404 10.6697 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 11
M  V30 3 2 2 3
M  V30 4 2 2 4
M  V30 5 1 2 17
M  V30 6 1 5 6
M  V30 7 1 5 12
M  V30 8 1 7 8
M  V30 9 1 7 15
M  V30 10 2 8 9
M  V30 11 1 8 23
M  V30 12 1 10 22
M  V30 13 2 11 12
M  V30 14 1 11 13
M  V30 15 1 12 14
M  V30 16 2 13 15
M  V30 17 2 14 16
M  V30 18 1 15 16
M  V30 19 2 17 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 2 19 21
M  V30 23 2 20 22
M  V30 24 1 21 22
M  V30 25 2 23 24
M  V30 26 1 23 25
M  V30 27 1 24 26
M  V30 28 2 25 27
M  V30 29 2 26 28
M  V30 30 1 27 28
M  V30 31 1 28 29
M  V30 32 2 29 30
M  V30 33 1 29 31
M  V30 34 1 30 32
M  V30 35 2 31 33
M  V30 36 2 32 34
M  V30 37 1 33 34
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
727699-84-5

> <cas.index.name>
[1,1′-Biphenyl]-4-carboxamide, N-[3-[[(4-fluorophenyl)sulfonyl]amino]-4-methoxyphenyl]-

> <molecular.formula>
C26H21FN2O4S

> <molecular.weight>
476.52

> <density.predicted>
1.357±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.54±0.10    Most Acidic Temp: 25 °C

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