727718-11-8
1-([4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
Name1-([4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
FormulaC13 H13 Cl F3 N O4 S
1Identification
【Name】
1-([4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04619540
【English Synonyms】
【Formula】
C13 H13 Cl F3 N O4 S
【MolWeight】
371.762
【Inchi】
InChI=1S/C13H13ClF3NO4S/c14-11-2-1-9(7-10(11)13(15,16)17)23(21,22)18-5-3-8(4-6-18)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)
【InChIKey】
InChIKey=LUVBPRSIHUQMSZ-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1S(=O)(=O)N2CCC(CC2)C(=O)O)C(F)(F)F)Cl
【MOL File】
1-([4-CHLORO-3-(TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-([4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID.cml