633322-15-3
1-(1H-INDOL-6-YLCARBONYL)-4-[[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]-PIPERAZINE
Name1-(1H-INDOL-6-YLCARBONYL)-4-[[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]-PIPERAZINE
FormulaC20 H18 F3 N3 O3 S
1Identification
【Name】
1-(1H-INDOL-6-YLCARBONYL)-4-[[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]-PIPERAZINE
【CAS】
【MDL】
MFCD01765617
【English Synonyms】
【Formula】
C20 H18 F3 N3 O3 S
【MolWeight】
437.44
【Inchi】
InChI=1S/C20H18F3N3O3S/c21-20(22,23)16-2-1-3-17(13-16)30(28,29)26-10-8-25(9-11-26)19(27)15-5-4-14-6-7-24-18(14)12-15/h1-7,12-13,24H,8-11H2
【InChIKey】
InChIKey=FIXBOXZORFJMMD-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)C(=O)c3ccc4cc[nH]c4c3)C(F)(F)F
【MOL File】
1-(1H-INDOL-6-YLCARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1H-INDOL-6-YLCARBONYL)-4-[[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]-PIPERAZINE.cml