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Molecule
4,4′-[Sulfonylbis(4,1-Phenyleneoxy)]Bis[Benzenamine]
CAS: 13080-89-2 · C24H20N2O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13080-89-2
- Molecular Formula
- C24H20N2O4S
- Molecular Mass
- 432.50 g/mol
Identifiers
CAS Registry Number
13080-89-2
SMILES
Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1
InChI Key
UTDAGHZGKXPRQI-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-[Sulfonylbis(4,1-Phenyleneoxy)]Bis[Benzenamine] Systematic Name
- Benzenamine, 4,4′-[sulfonylbis(4,1-phenyleneoxy)]bis- Synonym
- Aniline, 4,4′-[sulfonylbis(p-phenyleneoxy)]di- Synonym
- 4,4′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine] Synonym
- Bis[4-(4-aminophenoxy)phenyl] sulfone Synonym
- Bis[p-(p-aminophenoxy)phenyl] sulfone Synonym
- 4,4′-[Sulfonylbis(p-phenyleneoxy)]dianiline Synonym
- 4,4′-Bis(4-aminophenoxy)diphenyl sulfone Synonym
- SED Synonym
- Bis[4-(4′-aminophenoxy)phenyl) sulfone Synonym
- 4,4′-(Sulfonylbis(4,1-phenylene))bis(oxy)dianiline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 432.50 g/mol | CAS Common Chemistry |
| 432.50100000000015 g/mol | RDKit | |
| 432.501 g/mol | RDKit | |
| 432.494 g/mol | chempirical lib | |
| 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 |
| 5.2684 | RDKit | |
| Molar Refractivity | 120.1926 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 432.11437812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 432.50 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H20N2O4S.
