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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
Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-
Sulfanilamide, N1-(2,6-dimethoxy-4-pyrimidinyl)-
4-Amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
Abcid
Albon
4-(p-Aminobenzenesulfonamido)-2,6-dimethoxypyrimidine
N1-(2,6-Dimethoxy-4-pyrimidinyl)sulfanilamide
2,4-Dimethoxy-6-sulfanilamido-1,3-diazine
2,4-Dimethoxy-6-sulfanilamidopyrimidine
2,4-Dimethoxy-6-sulfanilamido-1,3-pyrimidine
Madribon
Madriqid
Madroxin
Omnibon
SDMO
Sulfadimethoxine
Sulfadimethoxydiazine
4-Sulfa-2,6-dimethoxypyrimidine
6-Sulfanilamido-2,4-dimethoxy-1,3-diazine
6-Sulfanilamido-2,4-dimethoxypyrimidine
4-Sulfanilamido-2,6-dimethoxypyrimidine
Sulfastop
2,6-Dimethoxy-4-sulfanilamidopyrimidine
Deposul
Sulxin
2,4-Dimethoxy-6-sulfonylamido-1,3-diazine
Sulfadimethoxin
Dimethoxysulfadiazine
Sudine
Madroxine
Symbio
Sulphadimethoxine
Sulfadimetoxin
Madrigid
Persulfen
Fuxal
Metoxidon
Scandisil
Dinosol
Sulfoplan
Dorisul
Arnosulfan
Redifal
Diasulfa
Mecozine
Lasibon
Sulforal
Sulfadimetoxine
Agribon
Sulfabon
Maxulvet
Bactrovet
Sumbio
Neostreptal
Ultrasulfon
Suldixine
NSC 683544
Sulfamed G
N-(2,6-Dimethoxypyrimidin-4-yl)-4-aminobenzenesulfonamide
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 |
