293753-06-7 ((N-Methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide)

CAS号:
293753-06-7
英文名称:
N-Methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide
分子式:
C16H13F6NO3S
分子量:
413.334744215012

N-Methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide(293753-06-7)名称与标识符

名称

英文别名:
N-Methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide;T-0314407;Benzenesulfonamide, N-methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-;

标识符

InChIKey:
CNVKZYLQZYULJV-UHFFFAOYSA-N
Inchi:
1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3
SMILES:
C1(S(N(C)C2=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C=C2)(=O)=O)=CC=CC=C1

N-Methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide(293753-06-7)物化性质

实验特性

  • PSA : 57.61
  • 沸点 : 472.2±55.0 °C(Predicted)
  • 酸度系数(pKa) : 9.25±0.15(Predicted)
  • 密度 : 1.489±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 413.05209