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Molecule
2-Amino-N-Ethyl-N-Phenylbenzenesulfonamide
CAS: 81-10-7 · C14H16N2O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 81-10-7
- Molecular Formula
- C14H16N2O2S
- Molecular Mass
- 276.36 g/mol
Identifiers
CAS Registry Number
81-10-7
SMILES
CCN(c1ccccc1)S(=O)(=O)c1ccccc1N
InChI Key
OXZNTECZWGFYMM-UHFFFAOYSA-N
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
Names and Synonyms
- 2-Amino-N-Ethyl-N-Phenylbenzenesulfonamide Synonym
- Benzenesulfonamide, 2-amino-N-ethyl-N-phenyl- Synonym
- Benzenesulfonanilide, 2-amino-N-ethyl- Synonym
- 2-Amino-N-ethyl-N-phenylbenzenesulfonamide Synonym
- 2-Amino-N-ethylbenzenesulfonanilide Synonym
- NSC 81263 Synonym
- 2-Amino-N-ethyl-N-phenylbenzene-1-sulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.36 g/mol | CAS Common Chemistry |
| 276.361 g/mol | RDKit | |
| 276.354 g/mol | chempirical lib | |
| 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 |
| 63.4 Ų | RDKit | |
| LogP | 2.484 | RDKit |
| 2.38 | chempirical lib | |
| Molar Refractivity | 77.50220000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 276.093248752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 276.36 g/mol. Edit any field — others recompute live.
