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4,4′-[Sulfonylbis(4,1-Phenyleneoxy)]Bis[Benzenamine]
CAS: 13080-89-2 | C24H20N2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13080-89-2
Molecular Formula:
C24H20N2O4S
Molecular Mass:
432.50 g/mol
Names and Synonyms:
4,4′-[Sulfonylbis(4,1-Phenyleneoxy)]Bis[Benzenamine]
Benzenamine, 4,4′-[sulfonylbis(4,1-phenyleneoxy)]bis-
Aniline, 4,4′-[sulfonylbis(p-phenyleneoxy)]di-
4,4′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]
Bis[4-(4-aminophenoxy)phenyl] sulfone
Bis[p-(p-aminophenoxy)phenyl] sulfone
4,4′-[Sulfonylbis(p-phenyleneoxy)]dianiline
4,4′-Bis(4-aminophenoxy)diphenyl sulfone
SED
Bis[4-(4′-aminophenoxy)phenyl) sulfone
4,4′-(Sulfonylbis(4,1-phenylene))bis(oxy)dianiline
Identifiers:
SMILES:
Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1
InChI:
InChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2
Key Properties
Melting Point
188-191 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 432.50 g/mol | CAS Common Chemistry |
| 432.50100000000015 g/mol | RDKit | |
| 432.11437812 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)C3=CC=C(OC4=CC=C(N)C=C4)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UTDAGHZGKXPRQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188-191 °C | CAS Common Chemistry |
| Name | 4,4′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine] | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 104.64 Ų | RDKit |
| LogP | 5.268400000000003 | RDKit |
| Molar Refractivity | 120.1926 | RDKit |
