885269-24-9
4-(([(4'-METHYL[1,1'-BIPHENYL]-4-YL)SULFONYL]AMINO)METHYL)BENZOIC ACID
Name4-(([(4'-METHYL[1,1'-BIPHENYL]-4-YL)SULFONYL]AMINO)METHYL)BENZOIC ACID
1Identification
【Name】
4-(([(4'-METHYL[1,1'-BIPHENYL]-4-YL)SULFONYL]AMINO)METHYL)BENZOIC ACID
【CAS】
【MDL】
MFCD06409437
【English Synonyms】
【Formula】
C21 H19 N O4 S
【MolWeight】
381.45
【Inchi】
InChI=1S/C21H19NO4S/c1-15-2-6-17(7-3-15)18-10-12-20(13-11-18)27(25,26)22-14-16-4-8-19(9-5-16)21(23)24/h2-13,22H,14H2,1H3,(H,23,24)
【InChIKey】
InChIKey=PXXKHGUICUROBZ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)O
【MOL File】
4-(([(4'-METHYL[1,1'….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-(([(4'-METHYL[1,1'-BIPHENYL]-4-YL)SULFONYL]AMINO)METHYL)BENZOIC ACID.cml