727689-54-5
4-[4-(2-CHLOROPHENOXY)PHENYLSULFONYLAMINOMETHYL]BENZOIC ACID
Name4-[4-(2-CHLOROPHENOXY)PHENYLSULFONYLAMINOMETHYL]BENZOIC ACID
1Identification
【Name】
4-[4-(2-CHLOROPHENOXY)PHENYLSULFONYLAMINOMETHYL]BENZOIC ACID
【CAS】
【MDL】
MFCD05866544
【English Synonyms】
【Formula】
C20 H16 Cl N O5 S
【MolWeight】
417.867
【Inchi】
InChI=1S/C20H16ClNO5S/c21-18-3-1-2-4-19(18)27-16-9-11-17(12-10-16)28(25,26)22-13-14-5-7-15(8-6-14)20(23)24/h1-12,22H,13H2,(H,23,24)
【InChIKey】
InChIKey=NSXMPQYOUHHCQB-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)Oc2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)O)Cl
【MOL File】
4-[4-(2-CHLOROPHENOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[4-(2-CHLOROPHENOXY)PHENYLSULFONYLAMINOMETHYL]BENZOIC ACID.cml