Sulfisoxazole acetyl
C13H15N3O4S
80-74-0 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 N 5.3026 2.3101 0.0 0
M  V30 2 S 6.6365 3.0801 0.0 0 VAL=6
M  V30 3 C 5.3026 0.7700 0.0 0
M  V30 4 O 5.8665 4.4137 0.0 0
M  V30 5 O 7.4065 1.7464 0.0 0
M  V30 6 C 3.9690 0.0000 0.0 0
M  V30 7 O 6.6365 0.0000 0.0 0
M  V30 8 C 2.2420 0.9473 0.0 0
M  V30 9 C 0.0000 3.4372 0.0 0
M  V30 10 N 11.9713 6.1601 0.0 0
M  V30 11 C 3.9690 3.0801 0.0 0
M  V30 12 C 2.5622 2.4537 0.0 0
M  V30 13 O 3.8080 4.6116 0.0 0
M  V30 14 C 1.5316 3.5981 0.0 0
M  V30 15 N 2.3016 4.9318 0.0 0
M  V30 16 C 7.9701 3.8501 0.0 0
M  V30 17 C 7.9701 5.3901 0.0 0
M  V30 18 C 9.3038 3.0801 0.0 0
M  V30 19 C 9.3038 6.1601 0.0 0
M  V30 20 C 10.6375 3.8501 0.0 0
M  V30 21 C 10.6375 5.3901 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 11
M  V30 4 2 2 4
M  V30 5 2 2 5
M  V30 6 1 2 16
M  V30 7 1 3 6
M  V30 8 2 3 7
M  V30 9 1 8 12
M  V30 10 1 9 14
M  V30 11 1 10 21
M  V30 12 2 11 12
M  V30 13 1 11 13
M  V30 14 1 12 14
M  V30 15 1 13 15
M  V30 16 2 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>
80-74-0

> <cas.index.name>
Acetamide, N-[(4-aminophenyl)sulfonyl]-N-(3,4-dimethyl-5-isoxazolyl)-

> <molecular.formula>
C13H15N3O4S

> <molecular.weight>
309.34

> <melting.point.experimental>
193.5 °C

> <boiling.point.predicted>
538.1±60.0 °C    Press: 760 Torr

> <density.predicted>
1.396±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-0.17±0.10    Most Basic Temp: 25 °C

$$$$
