4-{4-[4-(4-aminobenzenesulfonyl)phenoxy]benzenesulfonyl}aniline

• ChemBase ID: 162155
• Molecular Formular: C24H20N2O5S2
• Molecular Mass: 480.556
• Monoisotopic Mass: 480.08136375
• SMILES: c1c(ccc(c1)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N)N
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N
• InChI: InChI=1S/C24H20N2O5S2/c25-17-1-9-21(10-2-17)32(27,28)23-13-5-19(6-14-23)31-20-7-15-24(16-8-20)33(29,30)22-11-3-18(26)4-12-22/h1-16H,25-26H2
• InChIKey: CAIMXHCQEIPTCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[4-(4-aminobenzenesulfonyl)phenoxy]benzenesulfonyl}aniline
• IUPAC Traditional name: 4-{4-[4-(4-aminobenzenesulfonyl)phenoxy]benzenesulfonyl}aniline
• Synonyms: 4,4'-[Oxybis(4,1-phenylenesulfonyl)]bisbenzenamine Hydrochloride; 4,4'-Oxybis[p-(phenylsulfonylaniline)] Hydrochloride; 4,4'-Bis(4''-aminobenzenesulfonyl) Diphenyl Ether Dihydrochloride; 4,4'-[Oxybis(4,1-phenylenesulfonyl)]bisbenzenamine; 4,4'-Oxybis[p-(phenylsulfonylaniline)]

Database IDs

• CAS Number: 54616-64-7
• PubChem SID: 162256290
• PubChem CID: 18401317

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 3.7250829
• LogD (pH = 7.4): 3.725347
• Log P: 3.7253504
• Molar Refractivity: 128.764 cm^3
• Polarizability: 51.047047 Å^3
• Polar Surface Area: 129.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO
• Apperance: Light Brown Solid
• Melting Point: 216-222°C (dec.)

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - B401500

The diamino arylene disulfones used in polyamido polysulfone thermoplastics and intermediates.

Toronto Research Chemicals - O870560

4,4'-Oxybis[p-(phenylsulfonylaniline)] is used in the preparation of polyamido polysulfone thermoplastics.