Back to Search
Molecule
Sulfamerazine
CAS: 127-79-7 · C11H12N4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 127-79-7
- Molecular Formula
- C11H12N4O2S
- Molecular Mass
- 264.31 g/mol
Identifiers
CAS Registry Number
127-79-7
SMILES
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
InChI Key
QPPBRPIAZZHUNT-UHFFFAOYSA-N
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)
Names and Synonyms
- Sulfamerazine Synonym
- Benzenesulfonamide, 4-amino-N-(4-methyl-2-pyrimidinyl)- Synonym
- Sulfanilamide, N1-(4-methyl-2-pyrimidinyl)- Synonym
- 4-Amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide Synonym
- RP 2632 Synonym
- Cremomerazine Synonym
- Methylpyrimal Synonym
- N1-(4-Methyl-2-pyrimidinyl)sulfanilamide Synonym
- Methylsulfazine Synonym
- Percoccide Synonym
- Pyralcid Synonym
- Pyrimal m Synonym
- 2643RP Synonym
- Sulfamerazine Synonym
- Sulfamethyldiazine Synonym
- 2-Sulfa-4-methylpyrimidine Synonym
- 2-Sulfanilamido-4-methylpyrimidine Synonym
- Sumedine Synonym
- Veta-Merazine Synonym
- Romezin Synonym
- A 310 Synonym
- Sulfameradine Synonym
- N-(4-Methyl-2-pyrimidyl)sulfanilamide Synonym
- Sulphamerazine Synonym
- Metilsulfazin Synonym
- Metilsulfadiazin Synonym
- Pirimal-M Synonym
- Sulfamerazin Synonym
- Debenal-M Synonym
- Kelamerazine Synonym
- 2632RP Synonym
- Septacil Synonym
- Mesulfa Synonym
- Mebacid Synonym
- 2-(4-Aminobenzenesulfonamido)-4-methylpyrimidine Synonym
- Spanbolet II Synonym
- NSC 27259 Synonym
- N-(4-Methylpyrimidin-2-yl)-4-aminobenzenesulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.31 g/mol | CAS Common Chemistry |
| 264.303 g/mol | chempirical lib | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.3425 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NC1=NC=CC(=N1)C)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=QPPBRPIAZZHUNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 236 °C | CAS Common Chemistry |
| Name | Sulfamerazine | 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 | 1.16802 | RDKit |
| 1.168 | RDKit | |
| Molar Refractivity | 68.43190000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 264.068096624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 264.31 g/mol; density = 1.340 g/mL. Edit any field — others recompute live.
