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Sulfadiazine Sodium
CAS: 547-32-0 | C10H10N4NaO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
547-32-0
Molecular Formula:
C10H10N4NaO2S
Molecular Mass:
273.27 g/mol
Names and Synonyms:
Sulfadiazine Sodium
Benzenesulfonamide, 4-amino-N-2-pyrimidinyl-, sodium salt (1:1)
Sulfanilamide, N1-2-pyrimidinyl-, monosodium salt
Benzenesulfonamide, 4-amino-N-2-pyrimidinyl-, monosodium salt
Sodium, (N1-2-pyrimidinylsulfanilamido)-
Sulfadiazine, sodium deriv.
Monosodium 2-sulfanilamidopyrimidine
Sodium sulfadiazine
Soluble sulfadiazine
Sulfadiazine sodium
2-Sulfanilamidopyrimidine sodium salt
Sodium sulfapyrimidine
Soludiazine
Suthogen
Sulfapyrimidine sodium
Sulfadiazine sodium salt
Sodium 2-sulfanilamidopyrimidine
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Na]
InChI:
InChI=1S/C10H10N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2,(H,12,13,14);
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 | 273.27 g/mol | CAS Common Chemistry |
| 273.273 g/mol | RDKit | |
| 273.04221584 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(NC1=NC=CC=N1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2,(H,12,13,14); | CAS Common Chemistry |
| InChI Key | InChIKey=RKISJHYCSQKDTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sulfadiazine sodium | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 97.97 Ų | RDKit |
| LogP | 0.47879999999999995 | RDKit |
| Molar Refractivity | 69.44890000000001 | RDKit |
