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Sulfadimidine Sodium
CAS: 1981-58-4 | C12H14N4NaO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1981-58-4
Molecular Formula:
C12H14N4NaO2S
Molecular Mass:
301.33 g/mol
Names and Synonyms:
Sulfadimidine Sodium
Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-, sodium salt (1:1)
Sulfanilamide, N1-(4,6-dimethyl-2-pyrimidinyl)-, monosodium salt
Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-, monosodium salt
Sulfanilamide, N1-(4,6-dimethyl-2-pyrimidinyl)-, sodium deriv.
Sulfamethazine, sodium deriv.
Vesadin
Sodium sulfadimidine
Sulmet
Sulfadimidine sodium
Sulfamethazine sodium
Sodium sulfamethazine
Sulfamethazine sodium salt
Bovibol
Sulfoxine 33
Intradine
Identifiers:
SMILES:
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1.[Na]
InChI:
InChI=1S/C12H14N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3,(H,14,15,16);
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 | 301.33 g/mol | CAS Common Chemistry |
| 301.327 g/mol | RDKit | |
| 301.07351596800004 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(NC=1N=C(C=C(N1)C)C)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H14N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3,(H,14,15,16); | CAS Common Chemistry |
| InChI Key | InChIKey=MNWVJNSMYXMEIX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sulfadimidine sodium | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 | 1.09564 | RDKit |
| Molar Refractivity | 78.92290000000003 | RDKit |
