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5-Amino-N-Ethyl-2-Methyl-N-Phenylbenzenesulfonamide
CAS: 51123-09-2 | C15H18N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51123-09-2
Molecular Formula:
C15H18N2O2S
Molecular Mass:
290.39 g/mol
Names and Synonyms:
5-Amino-N-Ethyl-2-Methyl-N-Phenylbenzenesulfonamide
Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide
5-Amino-N-ethyl-2-toluenesulfonanilide
NSC 84161
Identifiers:
SMILES:
CCN(c1ccccc1)S(=O)(=O)c1cc(N)ccc1C
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
Key Properties
Melting Point
108 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 290.39 g/mol | CAS Common Chemistry |
| 290.388 g/mol | RDKit | |
| 290.108898816 g/mol | RDKit | |
| 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 |
| LogP | 2.792420000000001 | RDKit |
| Molar Refractivity | 82.23920000000004 | RDKit |
