730249-87-3
4-(2,3,5,6-TETRAMETHYLPHENYLSULFONYLAMINO)BENZOIC ACID
Name4-(2,3,5,6-TETRAMETHYLPHENYLSULFONYLAMINO)BENZOIC ACID
1Identification
【Name】
4-(2,3,5,6-TETRAMETHYLPHENYLSULFONYLAMINO)BENZOIC ACID
【CAS】
【MDL】
MFCD03972197
【English Synonyms】
【Formula】
C17 H19 N O4 S
【MolWeight】
333.406
【Inchi】
InChI=1S/C17H19NO4S/c1-10-9-11(2)13(4)16(12(10)3)23(21,22)18-15-7-5-14(6-8-15)17(19)20/h5-9,18H,1-4H3,(H,19,20)
【InChIKey】
InChIKey=GXRBZEBVKOIXDU-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(cc2)C(=O)O)C)C
【MOL File】
4-(2,3,5,6-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,3,5,6-TETRAMETHYLPHENYLSULFONYLAMINO)BENZOIC ACID.cml