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2-Amino-N-Ethyl-N-Phenylbenzenesulfonamide
CAS: 81-10-7 | C14H16N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81-10-7
Molecular Formula:
C14H16N2O2S
Molecular Mass:
276.36 g/mol
Names and Synonyms:
2-Amino-N-Ethyl-N-Phenylbenzenesulfonamide
Benzenesulfonamide, 2-amino-N-ethyl-N-phenyl-
Benzenesulfonanilide, 2-amino-N-ethyl-
2-Amino-N-ethyl-N-phenylbenzenesulfonamide
2-Amino-N-ethylbenzenesulfonanilide
NSC 81263
2-Amino-N-ethyl-N-phenylbenzene-1-sulfonamide
Identifiers:
SMILES:
CCN(c1ccccc1)S(=O)(=O)c1ccccc1N
InChI:
InChI=1S/C14H16N2O2S/c1-2-16(12-8-4-3-5-9-12)19(17,18)14-11-7-6-10-13(14)15/h3-11H,2,15H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 276.36 g/mol | CAS Common Chemistry |
| 276.361 g/mol | RDKit | |
| 276.093248752 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(C=1C=CC=CC1N)N(C=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2O2S/c1-2-16(12-8-4-3-5-9-12)19(17,18)14-11-7-6-10-13(14)15/h3-11H,2,15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OXZNTECZWGFYMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Amino-N-ethyl-N-phenylbenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 19 | 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 | 2.484 | RDKit |
| Molar Refractivity | 77.50220000000003 | RDKit |
