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Molecule
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
Identifiers
CAS Registry Number
547-32-0
SMILES
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Na]
InChI Key
RKISJHYCSQKDTK-UHFFFAOYSA-N
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);
Names and Synonyms
- Sulfadiazine Sodium Common Name
- Benzenesulfonamide, 4-amino-N-2-pyrimidinyl-, sodium salt (1:1) Synonym
- Sulfanilamide, N1-2-pyrimidinyl-, monosodium salt Synonym
- Benzenesulfonamide, 4-amino-N-2-pyrimidinyl-, monosodium salt Synonym
- Sodium, (N1-2-pyrimidinylsulfanilamido)- Synonym
- Sulfadiazine, sodium deriv. Synonym
- Monosodium 2-sulfanilamidopyrimidine Synonym
- Sodium sulfadiazine Synonym
- Soluble sulfadiazine Synonym
- Sulfadiazine sodium Synonym
- 2-Sulfanilamidopyrimidine sodium salt Synonym
- Sodium sulfapyrimidine Synonym
- Soludiazine Synonym
- Suthogen Synonym
- Sulfapyrimidine sodium Synonym
- Sulfadiazine sodium salt Synonym
- Sodium 2-sulfanilamidopyrimidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.27 g/mol | CAS Common Chemistry |
| 273.273 g/mol | RDKit | |
| 274.274 g/mol | chempirical lib | |
| 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 |
| 0.4788 | RDKit | |
| Molar Refractivity | 69.44890000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 273.04221584 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 273.27 g/mol. Edit any field — others recompute live.
