1008956-65-7
N-[(3-CHLORO-4-FLUOROPHENYL)SULFONYL]PHENYLALANINE
NameN-[(3-CHLORO-4-FLUOROPHENYL)SULFONYL]PHENYLALANINE
FormulaC15 H13 Cl F N O4 S
1Identification
【Name】
N-[(3-CHLORO-4-FLUOROPHENYL)SULFONYL]PHENYLALANINE
【CAS】
【MDL】
MFCD03618998
【English Synonyms】
【Formula】
C15 H13 Cl F N O4 S
【MolWeight】
357.788
【Inchi】
InChI=1S/C15H13ClFNO4S/c16-12-9-11(6-7-13(12)17)23(21,22)18-14(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H,19,20)
【InChIKey】
InChIKey=NJWNKXRKNANWCI-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)F
【MOL File】
N-[(3-CHLORO-4-FLUOR….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-[(3-CHLORO-4-FLUOROPHENYL)SULFONYL]PHENYLALANINE.cml