1008052-19-4
N-([4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE
NameN-([4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE
FormulaC16 H13 Cl F3 N O4 S
1Identification
【Name】
N-([4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE
【CAS】
【MDL】
MFCD03619022
【English Synonyms】
【Formula】
C16 H13 Cl F3 N O4 S
【MolWeight】
407.795
【Inchi】
InChI=1S/C16H13ClF3NO4S/c17-13-7-6-11(9-12(13)16(18,19)20)26(24,25)21-14(15(22)23)8-10-4-2-1-3-5-10/h1-7,9,14,21H,8H2,(H,22,23)
【InChIKey】
InChIKey=FHMLDKPFAYXUSA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c2ccc(c(c2)C(F)(F)F)Cl
【MOL File】
N-([4-CHLORO-3-(TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-([4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE.cml