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Sulfadimethoxine
CAS: 122-11-2 | C12H14N4O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-11-2
Molecular Formula:
C12H14N4O4S
Molecular Weight:
310.3350000000001 g/mol
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
Identifiers:
SMILES:
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 310.34 g/mol | Legacy Database |
| density | 1.65 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(=O)(NC=1N=C(N=C(OC)C1)OC)C2=CC=C(N)C=C2 None | Legacy Database |
| cas-density | 1.654 g/cm3 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=ZZORFUFYDOWNEF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 203.5 °C None | Legacy Database |
| cas-name | Sulfadimethoxine None | Legacy Database |
| LogP | 0.8768 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 310.3350000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 310.073575928 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 21 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 116.43 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 76.79890000000002 | RDKit |