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3,5-Dichlorobenzenesulfonamide
CAS: 19797-32-1 | C6H5Cl2NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19797-32-1
Molecular Formula:
C6H5Cl2NO2S
Molecular Mass:
226.08 g/mol
Names and Synonyms:
3,5-Dichlorobenzenesulfonamide
3,5-Dichlorobenzenesulfonamide
3,5-Dichlorophenylsulfonamide
3,5-Dichlorobenzene-1-sulfonamide
Benzenesulfonamide, 3,5-dichloro-
Identifiers:
SMILES:
NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChI:
InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
Key Properties
Melting Point
147-148 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 226.08 g/mol | CAS Common Chemistry |
| 226.084 g/mol | RDKit | |
| 224.94180476 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(N)C=1C=C(Cl)C=C(Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=AHNOVNYOUPQVRX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147-148 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 3,5-Dichlorobenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 60.160000000000004 Ų | RDKit |
| LogP | 1.6408000000000005 | RDKit |
| Molar Refractivity | 47.83520000000001 | RDKit |
