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4-Chloro-3-Pyridinesulfonamide
CAS: 33263-43-3 | C5H5ClN2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33263-43-3
Molecular Formula:
C5H5ClN2O2S
Molecular Mass:
192.63 g/mol
Names and Synonyms:
4-Chloro-3-Pyridinesulfonamide
3-Pyridinesulfonamide, 4-chloro-
4-Chloro-3-pyridinesulfonamide
4-Chloro-3-pyridylsulfonamide
Identifiers:
SMILES:
NS(=O)(=O)c1cnccc1Cl
InChI:
InChI=1S/C5H5ClN2O2S/c6-4-1-2-8-3-5(4)11(7,9)10/h1-3H,(H2,7,9,10)
Key Properties
Melting Point
155-157 °C @ Solvent: Water
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 | 192.63 g/mol | CAS Common Chemistry |
| 192.627 g/mol | RDKit | |
| 191.97602608 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(N)C=1C=NC=CC1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C5H5ClN2O2S/c6-4-1-2-8-3-5(4)11(7,9)10/h1-3H,(H2,7,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=DGIINIBYHCODIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-157 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 4-Chloro-3-pyridinesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 73.05000000000001 Ų | RDKit |
| LogP | 0.3824000000000002 | RDKit |
| Molar Refractivity | 40.62020000000001 | RDKit |
