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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 Mass:
280.31 g/mol
Names and Synonyms:
Sulfamethoxypyridazine
Benzenesulfonamide, 4-amino-N-(6-methoxy-3-pyridazinyl)-
Sulfanilamide, N1-(6-methoxy-3-pyridazinyl)-
4-Amino-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide
CL 13,494
3-(p-Aminobenzenesulfamido)-6-methoxypyridazine
Davosin
Depovernil
Kinex
Kynex
Medicel
Lederkyn
N1-(6-Methoxy-3-pyridazinyl)sulfanilamide
6-Methoxy-3-sulfanilamidopyridazine
Midicel
Midikel
Myasul
Paramid
Paramid Supra
Spofadazine
Sulfalex
3-Sulfanilamido-6-methoxypyridazine
Sultirene
6-Sulfanilamido-3-methoxypyridazine
Sulfamethoxypyridazine
Sulfapyridazine
Retamid
Retasulfine
3-(4-Aminobenzenesulfonamido)-6-methoxypyridazine
Retasulphine
Retasulfin
Quinoseptyl
Sulfapiridazin
Davozil
Lederkin
3-Methoxy-6-sulfanilamidopyridazine
SMOP
Sulfozona
Altezol
Piridolo
Lisulfen
Longin
Slosul
Sulphamethoxypyridazine
6-Methoxy-3-pyridazinylsulfanilamide
LAS (pharmaceutical)
LAS
Sulfdurazin
CL 13494
RP 7522
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)
Key Properties
Melting Point
182.5 °C
CAS Common Chemistry
Density
1.48 g/cm³
CAS Common Chemistry
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 | 280.31 g/mol | CAS Common Chemistry |
| 280.30899999999997 g/mol | RDKit | |
| 280.063011244 g/mol | RDKit | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.48318 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NC1=NN=C(OC)C=C1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=VLYWMPOKSSWJAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182.5 °C | CAS Common Chemistry |
| Name | Sulfamethoxypyridazine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 107.2 Ų | RDKit |
| LogP | 0.8681999999999999 | RDKit |
| Molar Refractivity | 70.24690000000002 | RDKit |
