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Sulfamerazine
CAS: 127-79-7 | C11H12N4O2S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
127-79-7
Molecular Formula:
C11H12N4O2S
Molecular Mass:
264.31 g/mol
Names and Synonyms:
Sulfamerazine
Benzenesulfonamide, 4-amino-N-(4-methyl-2-pyrimidinyl)-
Sulfanilamide, N1-(4-methyl-2-pyrimidinyl)-
4-Amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide
RP 2632
Cremomerazine
Methylpyrimal
N1-(4-Methyl-2-pyrimidinyl)sulfanilamide
Methylsulfazine
Percoccide
Pyralcid
Pyrimal m
2643RP
Sulfamerazine
Sulfamethyldiazine
2-Sulfa-4-methylpyrimidine
2-Sulfanilamido-4-methylpyrimidine
Sumedine
Veta-Merazine
Romezin
A 310
Sulfameradine
N-(4-Methyl-2-pyrimidyl)sulfanilamide
Sulphamerazine
Metilsulfazin
Metilsulfadiazin
Pirimal-M
Sulfamerazin
Debenal-M
Kelamerazine
2632RP
Septacil
Mesulfa
Mebacid
2-(4-Aminobenzenesulfonamido)-4-methylpyrimidine
Spanbolet II
NSC 27259
N-(4-Methylpyrimidin-2-yl)-4-aminobenzenesulfonamide
Identifiers:
SMILES:
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
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)
Key Properties
Melting Point
236 °C
CAS Common Chemistry
Density
1.34 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.31 g/mol | CAS Common Chemistry |
| 264.068096624 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 68.43190000000001 | RDKit |
