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Molecule
Sulfadimethoxine
CAS: 122-11-2 · C12H14N4O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 122-11-2
- Molecular Formula
- C12H14N4O4S
- Molecular Mass
- 310.34 g/mol
Identifiers
CAS Registry Number
122-11-2
SMILES
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
InChI Key
ZZORFUFYDOWNEF-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
Names and Synonyms
- Sulfadimethoxine Synonym
- Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)- Synonym
- Sulfanilamide, N1-(2,6-dimethoxy-4-pyrimidinyl)- Synonym
- 4-Amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide Synonym
- Abcid Synonym
- Albon Synonym
- 4-(p-Aminobenzenesulfonamido)-2,6-dimethoxypyrimidine Synonym
- N1-(2,6-Dimethoxy-4-pyrimidinyl)sulfanilamide Synonym
- 2,4-Dimethoxy-6-sulfanilamido-1,3-diazine Synonym
- 2,4-Dimethoxy-6-sulfanilamidopyrimidine Synonym
- 2,4-Dimethoxy-6-sulfanilamido-1,3-pyrimidine Synonym
- Madribon Synonym
- Madriqid Synonym
- Madroxin Synonym
- Omnibon Synonym
- SDMO Synonym
- Sulfadimethoxine Synonym
- Sulfadimethoxydiazine Synonym
- 4-Sulfa-2,6-dimethoxypyrimidine Synonym
- 6-Sulfanilamido-2,4-dimethoxy-1,3-diazine Synonym
- 6-Sulfanilamido-2,4-dimethoxypyrimidine Synonym
- 4-Sulfanilamido-2,6-dimethoxypyrimidine Synonym
- Sulfastop Synonym
- 2,6-Dimethoxy-4-sulfanilamidopyrimidine Synonym
- Deposul Synonym
- Sulxin Synonym
- 2,4-Dimethoxy-6-sulfonylamido-1,3-diazine Synonym
- Sulfadimethoxin Synonym
- Dimethoxysulfadiazine Synonym
- Sudine Synonym
- Madroxine Synonym
- Symbio Synonym
- Sulphadimethoxine Synonym
- Sulfadimetoxin Synonym
- Madrigid Synonym
- Persulfen Synonym
- Fuxal Synonym
- Metoxidon Synonym
- Scandisil Synonym
- Dinosol Synonym
- Sulfoplan Synonym
- Dorisul Synonym
- Arnosulfan Synonym
- Redifal Synonym
- Diasulfa Synonym
- Mecozine Synonym
- Lasibon Synonym
- Sulforal Synonym
- Sulfadimetoxine Synonym
- Agribon Synonym
- Sulfabon Synonym
- Maxulvet Synonym
- Bactrovet Synonym
- Sumbio Synonym
- Neostreptal Synonym
- Ultrasulfon Synonym
- Suldixine Synonym
- NSC 683544 Synonym
- Sulfamed G Synonym
- N-(2,6-Dimethoxypyrimidin-4-yl)-4-aminobenzenesulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.34 g/mol | CAS Common Chemistry |
| 310.3350000000001 g/mol | RDKit | |
| 310.335 g/mol | RDKit | |
| 310.328 g/mol | chempirical lib | |
| Density | 1.65 g/cm³ | CAS Common Chemistry |
| 1.654 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NC=1N=C(N=C(OC)C1)OC)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=ZZORFUFYDOWNEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 203.5 °C | CAS Common Chemistry |
| Name | Sulfadimethoxine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 116.43 Ų | RDKit |
| LogP | 0.8768 | RDKit |
| Molar Refractivity | 76.79890000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 310.073575928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 310.34 g/mol; density = 1.650 g/mL. Edit any field — others recompute live.
