- InChI
- InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
- InChI Key
- QPPBRPIAZZHUNT-UHFFFAOYSA-N
- Formula
- C11H12N4O2S
- SMILES
-
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)
n1 - Molecular Weight1
- 264.30
- CAS
- 127-79-7
- Other Names
-
- 2-(4-Aminobenzenesulfonamido)-4-methylpyrimidine
- 2-(p-Aminobenzosulfonamido)-4-methylpyrimidine
- 2-Sulfa-4-methylpyrimidine
- 2-Sulfanilamido-4-methylpyrimidine
- 2632 R. P.
- 2643-RP
- A-310
- Benzenesulfonamide, 4-amino-N-(4-methyl-2-pyrimidinyl)-
- Cremomerazine
- Debenal-M
- Kelamerazine
- Mebacid
- Mesulfa
- Methylpyrimal
- Methylsulfazine
- Metilsulfadiazin
- Metilsulfazin
- N-(4-Methyl-2-pyrimidyl)sulfanilamide
- Percoccide
- Pirimal-M
- Pyralcid
- Pyrimal m
- RP 2632
- Romezin
- Septacil
- Septosyl
- Solumedin
- Solumedine
- Sulfameradine
- Sulfamerazin
- Sulfamethyldiazine
- Sulfanilamide, N
- Sulphamerazine
- Sumedine
- Veta-Merazine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7338 | Relay (1.0) Calculated Property | |
| ΔfG° | 201.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -105.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.12; -1.24] |
|
|
| log10WS | -1.24 | Aq. Solubility Prediction | |
| log10WS | -3.12 | Aq. Solubility Prediction | |
| logPoct/wat | 1.168 | Crippen Calculated Property | |
| McVol | 186.340 | ml/mol | McGowan Calculated Property |
| Pc | 3763.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2573.00; 2573.00] |
|
|
| Inp | 2573.00 | NIST | |
| Inp | 2573.00 | NIST | |
| Tboil | 674.92 | K | Relay (1.0) Calculated Property |
| Tc | 1022.36 | K | Relay (1.0) Calculated Property |
| Tfus | [506.40; 515.20] | K |
|
| Tfus | 508.69 | K | Aq. Solubility Prediction |
| Tfus | 508.69 | K | Aq. Solubility Prediction |
| Tfus | 506.40 ± 1.00 | K | NIST |
| Tfus | 515.20 ± 0.50 | K | NIST |
| Vc | 0.655 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [31.60; 41.30] | kJ/mol | [508.50; 515.20] |
|
| ΔfusH | 41.30 | kJ/mol | 508.50 | NIST |
| ΔfusH | 31.60 | kJ/mol | 515.20 | NIST |
| ΔfusH | 31.60 | kJ/mol | 515.20 | NIST |
Similar Compounds
Find more compounds similar to Sulfamerazine.
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
- Aqueous Solubility Prediction Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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