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Sulfapyridine
CAS: 144-83-2 | C11H11N3O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
144-83-2
Molecular Formula:
C11H11N3O2S
Molecular Mass:
249.30 g/mol
Names and Synonyms:
Sulfapyridine
Benzenesulfonamide, 4-amino-N-2-pyridinyl-
Sulfanilamide, N1-2-pyridyl-
Sulfanilamide, N1-2(1H)-pyridylidene-
Sulfanilamide, N4-2-pyridyl-
4-Amino-N-2-pyridinylbenzenesulfonamide
M and B 693
Adiplon
Coccoclase
Dagenan
Eubasin
Eubasinum
Haptocil
Piridazol
Plurazol
N1-2-Pyridylsulfanilamide
Relbapiridina
Ronin
Septipulmon
Streptosilpyridine
2-Sulfanilamidopyridine
Sulfapyridine
Sulfidine
Thioseptal
Trianon
2-Sulfapyridine
A-499
Sulfidin
Pyriamid
Pyridazol
Sulphapyridine
4-[(2-Pyridylamino)sulfonyl]aniline
Pirodazole
NSC 41791
NSC 4753
N-(2-Pyridyl)-4-aminobenzenesulfonamide
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
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)
Key Properties
Melting Point
192 °C
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 | 249.30 g/mol | CAS Common Chemistry |
| 249.29500000000004 g/mol | RDKit | |
| 249.057197592 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 65.89990000000002 | RDKit |
