551930-98-4
5-(1-((2-CHLOROPHENYL)SULFONYL)-2-PYRROLIDINYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE
Name5-(1-((2-CHLOROPHENYL)SULFONYL)-2-PYRROLIDINYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE
FormulaC19 H15 Cl F3 N3 O3 S
1Identification
【Name】
5-(1-((2-CHLOROPHENYL)SULFONYL)-2-PYRROLIDINYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE
【CAS】
【MDL】
MFCD02186680
【English Synonyms】
【Formula】
C19 H15 Cl F3 N3 O3 S
【MolWeight】
457.858
【Inchi】
InChI=1S/C19H15ClF3N3O3S/c20-14-7-1-2-9-16(14)30(27,28)26-10-4-8-15(26)18-24-17(25-29-18)12-5-3-6-13(11-12)19(21,22)23/h1-3,5-7,9,11,15H,4,8,10H2
【InChIKey】
InChIKey=DWOCZJKTCHUPBT-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)S(=O)(=O)N2CCCC2c3nc(no3)c4cccc(c4)C(F)(F)F)Cl
【MOL File】
5-(1-((2-CHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(1-((2-CHLOROPHENYL)SULFONYL)-2-PYRROLIDINYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE.cml