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Molecule
Sulfapyridine
CAS: 144-83-2 · C11H11N3O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 144-83-2
- Molecular Formula
- C11H11N3O2S
- Molecular Mass
- 249.30 g/mol
Identifiers
CAS Registry Number
144-83-2
SMILES
Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChI Key
GECHUMIMRBOMGK-UHFFFAOYSA-N
InChI
InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
Names and Synonyms
- Sulfapyridine Common Name
- Benzenesulfonamide, 4-amino-N-2-pyridinyl- Synonym
- Sulfanilamide, N1-2-pyridyl- Synonym
- Sulfanilamide, N1-2(1H)-pyridylidene- Synonym
- Sulfanilamide, N4-2-pyridyl- Synonym
- 4-Amino-N-2-pyridinylbenzenesulfonamide Synonym
- M and B 693 Synonym
- Adiplon Synonym
- Coccoclase Synonym
- Dagenan Synonym
- Eubasin Synonym
- Eubasinum Synonym
- Haptocil Synonym
- Piridazol Synonym
- Plurazol Synonym
- N1-2-Pyridylsulfanilamide Synonym
- Relbapiridina Synonym
- Ronin Synonym
- Septipulmon Synonym
- Streptosilpyridine Synonym
- 2-Sulfanilamidopyridine Synonym
- Sulfapyridine Synonym
- Sulfidine Synonym
- Thioseptal Synonym
- Trianon Synonym
- 2-Sulfapyridine Synonym
- A-499 Synonym
- Sulfidin Synonym
- Pyriamid Synonym
- Pyridazol Synonym
- Sulphapyridine Synonym
- 4-[(2-Pyridylamino)sulfonyl]aniline Synonym
- Pirodazole Synonym
- NSC 41791 Synonym
- NSC 4753 Synonym
- N-(2-Pyridyl)-4-aminobenzenesulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.30 g/mol | CAS Common Chemistry |
| 249.29500000000004 g/mol | RDKit | |
| 249.295 g/mol | RDKit | |
| 249.288 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(NC1=NC=CC=C1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=GECHUMIMRBOMGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192 °C | CAS Common Chemistry |
| Name | Sulfapyridine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 85.08 Ų | RDKit |
| LogP | 1.4646000000000001 | RDKit |
| 1.4646 | RDKit | |
| Molar Refractivity | 65.89990000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.057197592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
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MW = 249.30 g/mol. Edit any field — others recompute live.
