256458-61-4
1-(1H-INDOL-4-YL)-4-[(2,4,5-TRICHLOROPHENYL)SULFONYL]-PIPERAZINE
Name1-(1H-INDOL-4-YL)-4-[(2,4,5-TRICHLOROPHENYL)SULFONYL]-PIPERAZINE
FormulaC18 H16 Cl3 N3 O2 S
1Identification
【Name】
1-(1H-INDOL-4-YL)-4-[(2,4,5-TRICHLOROPHENYL)SULFONYL]-PIPERAZINE
【CAS】
【MDL】
MFCD00829523
【English Synonyms】
【Formula】
C18 H16 Cl3 N3 O2 S
【MolWeight】
444.768
【Inchi】
InChI=1S/C18H16Cl3N3O2S/c19-13-10-15(21)18(11-14(13)20)27(25,26)24-8-6-23(7-9-24)17-3-1-2-16-12(17)4-5-22-16/h1-5,10-11,22H,6-9H2
【InChIKey】
InChIKey=UTDWZRUBNJOOBA-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc[nH]2)c(c1)N3CCN(CC3)S(=O)(=O)c4cc(c(cc4Cl)Cl)Cl
【MOL File】
1-(1H-INDOL-4-YL)-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1H-INDOL-4-YL)-4-[(2,4,5-TRICHLOROPHENYL)SULFONYL]-PIPERAZINE.cml