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Sulfamethoxypyridazine
CAS: 80-35-3 | C11H12N4O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-35-3
Molecular Formula:
C11H12N4O3S
Molecular Weight:
280.30899999999997 g/mol
Names and Synonyms:
Sulfamethoxypyridazine
RP 7522
CL 13494
Sulfdurazin
LAS
LAS (pharmaceutical)
6-Methoxy-3-pyridazinylsulfanilamide
Sulphamethoxypyridazine
Slosul
Longin
Lisulfen
Piridolo
Altezol
Sulfozona
SMOP
3-Methoxy-6-sulfanilamidopyridazine
Lederkin
Davozil
Sulfapiridazin
Quinoseptyl
Retasulfin
Retasulphine
3-(4-Aminobenzenesulfonamido)-6-methoxypyridazine
Retasulfine
Retamid
Sulfapyridazine
Sulfamethoxypyridazine
6-Sulfanilamido-3-methoxypyridazine
Sultirene
3-Sulfanilamido-6-methoxypyridazine
Sulfalex
Spofadazine
Paramid Supra
Paramid
Myasul
Midikel
Midicel
6-Methoxy-3-sulfanilamidopyridazine
N1-(6-Methoxy-3-pyridazinyl)sulfanilamide
Lederkyn
Medicel
Kynex
Kinex
Depovernil
Davosin
3-(p-Aminobenzenesulfamido)-6-methoxypyridazine
CL 13,494
4-Amino-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide
Sulfanilamide, N1-(6-methoxy-3-pyridazinyl)-
Benzenesulfonamide, 4-amino-N-(6-methoxy-3-pyridazinyl)-
Identifiers:
SMILES:
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
InChI:
InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 280.30899999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 280.063011244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 19 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 107.2 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8681999999999999 | RDKit |
| molecular_mass | 280.31 g/mol | Legacy Database |
| density | 1.48 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(=O)(NC1=NN=C(OC)C=C1)C2=CC=C(N)C=C2 None | Legacy Database |
| cas-density | 1.48318 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15) None | Legacy Database |
| cas-inchi-key | InChIKey=VLYWMPOKSSWJAL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 182.5 °C None | Legacy Database |
| cas-name | Sulfamethoxypyridazine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 70.24690000000002 | RDKit |
