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Molecule
Sulfadiazine
CAS: 68-35-9 · C10H10N4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 68-35-9
- Molecular Formula
- C10H10N4O2S
- Molecular Mass
- 250.28 g/mol
Identifiers
CAS Registry Number
68-35-9
SMILES
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChI Key
SEEPANYCNGTZFQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N4O2S/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 Common Name
- Benzenesulfonamide, 4-amino-N-2-pyrimidinyl- Synonym
- Sulfanilamide, N1-2-pyrimidinyl- Synonym
- Sulfanilamide, N1-2(1H)-pyrimidinylidene- Synonym
- 4-Amino-N-2-pyrimidinylbenzenesulfonamide Synonym
- RP 2616 Synonym
- Adiazine Synonym
- Coco-Diazine Synonym
- Cremodiazine Synonym
- Debenal Synonym
- Diazin Synonym
- Di-Azo-Mul Synonym
- Diazyl Synonym
- Eskadiazine Synonym
- Honey diazine Synonym
- Lipo-Diazine Synonym
- Lipo-Levazine Synonym
- Microsulfon Synonym
- Neazine Synonym
- Pyrimal Synonym
- N1-2-Pyrimidylsulfanilamide Synonym
- SDA Synonym
- Spofadrizine Synonym
- Sterazine Synonym
- Sulfadiazine Synonym
- 2-Sulfanilamidopyrimidine Synonym
- 2-Sulfanilylaminopyrimidine Synonym
- Sulfazine Synonym
- Sulphadiazine Synonym
- Sulfapyrimidine Synonym
- Theradiazine Synonym
- A 306 Synonym
- Sulfazin (Russian pharmaceutical) Synonym
- Sulfazin Synonym
- Sulfadiazin Synonym
- Adiazin Synonym
- Pirimal Synonym
- Sulfapirimidin Synonym
- N1-2-Pyrimidinylsulfanilamide Synonym
- Liquadiazine Synonym
- Sanodiazine Synonym
- SN 112 Synonym
- Deltazina Synonym
- Piridisir Synonym
- Diazolone Synonym
- Diazovit Synonym
- 2-(4-Aminobenzenesulfonamido)pyrimidine Synonym
- Sulphadiazine E Synonym
- Sulfadiazina Reig Jofre Synonym
- Sulfolex Synonym
- NSC 35600 Synonym
- 2-(4-Aminobenzenesulfonylamino)pyrimidine Synonym
- 4-Amino-N-(2-pyrimidyl)benzenesulfonamide Synonym
- 2-(p-Aminobenzenesulfonamido)pyrimidin Synonym
- 4-[[(Pyrimidin-2-yl)amino]sulfonyl]aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.28 g/mol | CAS Common Chemistry |
| 250.28300000000004 g/mol | RDKit | |
| 250.283 g/mol | RDKit | |
| 250.276 g/mol | chempirical lib | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.52 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NC1=NC=CC=N1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N4O2S/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=SEEPANYCNGTZFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 255.5 °C (decomp) | CAS Common Chemistry |
| Name | Sulfadiazine | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 | 0.8596000000000001 | RDKit |
| 0.8596 | RDKit | |
| Molar Refractivity | 63.69490000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 250.05244656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 250.28 g/mol; density = 1.520 g/mL. Edit any field — others recompute live.
