- 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)
- InChI Key
- SEEPANYCNGTZFQ-UHFFFAOYSA-N
- Formula
- C10H10N4O2S
- SMILES
- Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
- Molecular Weight1
- 250.28
- CAS
- 68-35-9
- Other Names
-
- 2-(4-Aminobenzenesulfonylamino)pyrimidine
- 2-(4-aminobenzenesulfonamido)pyrimidine
- 2-(p-Aminobenzenesulfonamido)pyrimidin
- 2-Sulfapyrimidine
- 2-sulfanilamidopyrimidine
- 2-sulfanilylaminopyrimidine
- 4-Amino-N-(2-pyrmidinyl)benzene sulfonamide (sulfadiazine)
- 4-[[(Pyrimidin-2-yl)amino]sulfonyl]aniline
- 4-amino-N-2-pyrimidinylbenzenesulfonamide
- A-306
- Adiazin
- Coco-Diazine
- Codiazine
- Cremodiazine
- Cremotres
- Debenal
- Di-Azo-Mul
- Diazovit
- Diazyl
- Honey diazine
- Lipo-Diazine
- Lipo-Levazine
- Liquadiazine
- Metha-Meridiazine
- Microsulfon
- N(Sup1)-2-Pyrimidinylsulfanilamide
- N(Sup1)-2-Pyrimidylsulfanilamide
- N1-2-pyrimidinylsulfanilamide
- N1-2-pyrimidylsulfanilamide
- Neazine
- Neotrizine
- Palatrize
- Pecta-diazine, suspension
- Piridisir
- Pirimal
- Pyrimal
- Pyrimidine, 2-sulfanilamido-
- Quadetts
- Quadramoid
- RP 2616
- S. N. 112
- SDA
- Sanodiazine
- Silvadene
- Spofadrizine
- Sterazine
- Sulfadiazene
- Sulfadiazin
- Sulfadiazina Reig Jofre
- Sulfanilamidopyrimidine
- Sulfapirimidin
- Sulfapyrimidin
- Sulfatryl
- Sulfazin
- Sulfolex
- Sulfonsol
- Sulfose
- Sulphadiazine
- Sulphadiazine E
- Terfonyl
- Theradiazine
- Thi-Di-Mer
- Tri-Sulfameth
- Trifonamide
- Triple Sulfas
- Trisem
- Truozine
- adiazine
- benzenesulfonamide, 4-amino-N-2-pyrimidinyl-
- deltazina
- diazin
- diazolone
- eskadiazine
- sulfanilamide, N1-2(1H)-pyrimidinylidene-
- sulfanilamide, N1-2-pyrimidinyl-
- sulfapyrimidine
- sulfazine
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 117.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.54 | Aq. Solubility Prediction | |
| logPoct/wat | 0.860 | Crippen Calculated Property | |
| McVol | 172.250 | ml/mol | McGowan Calculated Property |
| Inp | 2523.00 | NIST | |
| Tfus | [527.27; 538.80] | K |
|
| Tfus | 527.27 | K | Aq. Solubility Prediction |
| Tfus | 538.80 ± 0.50 | K | NIST |
| Tfus | 534.00 ± 3.00 | K | NIST |
| Tfus | 531.00 ± 4.00 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [31.20; 44.30] | kJ/mol | [520.40; 538.70] |
|
| ΔfusH | 44.30 | kJ/mol | 520.40 | NIST |
| ΔfusH | 44.30 | kJ/mol | 532.70 | NIST |
| ΔfusH | 31.20 | kJ/mol | 538.70 | NIST |
| ΔfusH | 31.20 | kJ/mol | 538.70 | NIST |
Similar Compounds
Find more compounds similar to Sulfadiazine.
Mixtures
- Sulfadiazine + Methyl Alcohol + Water
- Sulfadiazine + 1,4-Dioxane + Water
- Sulfadiazine + Ethanol
- 1-Propanol + Sulfadiazine
- Sulfadiazine + Acetone
- Trichloromethane + Sulfadiazine
- Sulfadiazine + Methyl Alcohol
- Sulfadiazine + 2-Propanol
- Sulfadiazine + Water
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Solubility and preferential solvation of sulfadiazine inmethanol + water mixtures at several temperatures
- Solubility temperature dependence and preferential solvation of sulfadiazine in 1,4-dioxane + water co-solvent mixtures
- Solubilities of Sulfadiazine, Sulfamethazine, Sulfadimethoxine, Sulfamethoxydiazine, Sulfamonomethoxine, Sulfamethoxazole, and Sulfachloropyrazine in Water from (298.15 to 333.15) K
- Solubilities of Sulfadiazine in Methanol, Ethanol, 1-Propanol, 2-Propanol, Acetone, and Chloroform from (294.15 to 318.15) K
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.