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Molecule
5-Amino-N-Ethyl-2-Methyl-N-Phenylbenzenesulfonamide
CAS: 51123-09-2 · C15H18N2O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51123-09-2
- Molecular Formula
- C15H18N2O2S
- Molecular Mass
- 290.39 g/mol
Identifiers
CAS Registry Number
51123-09-2
SMILES
CCN(c1ccccc1)S(=O)(=O)c1cc(N)ccc1C
InChI Key
ZAXMFSSGOARPBM-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3
Names and Synonyms
- 5-Amino-N-Ethyl-2-Methyl-N-Phenylbenzenesulfonamide Systematic Name
- Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl- Synonym
- 5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide Synonym
- 5-Amino-N-ethyl-2-toluenesulfonanilide Synonym
- NSC 84161 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.39 g/mol | CAS Common Chemistry |
| 290.388 g/mol | RDKit | |
| 290.381 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(C1=CC(N)=CC=C1C)N(C=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAXMFSSGOARPBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108 °C | CAS Common Chemistry |
| Name | 5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 63.400000000000006 Ų | RDKit |
| 63.4 Ų | RDKit | |
| LogP | 2.792420000000001 | RDKit |
| 2.7924 | RDKit | |
| 2.77 | chempirical lib | |
| Molar Refractivity | 82.23920000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 290.108898816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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.
External Resources
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MW = 290.39 g/mol. Edit any field — others recompute live.
