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Sulfalene
CAS: 152-47-6 | C11H12N4O3S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
152-47-6
Molecular Formula:
C11H12N4O3S
Molecular Mass:
280.31 g/mol
Names and Synonyms:
Sulfalene
Benzenesulfonamide, 4-amino-N-(3-methoxy-2-pyrazinyl)-
Sulfanilamide, N1-(3-methoxypyrazinyl)-
Benzenesulfonamide, 4-amino-N-(3-methoxypyrazinyl)-
4-Amino-N-(3-methoxy-2-pyrazinyl)benzenesulfonamide
F.I. 5978
AS 18908
Kelfizin
Kelfizina
3-Methoxypyrazine sulfanilamide
N1-(3-Methoxy-2-pyrazinyl)sulfanilamide
3-Methoxy-2-sulfapyrazine
SMP2
Sulfalene
Sulfamethopyrazine
Sulfamethoxypyrazine
Sulfametopyrazine
2-Sulfanilamido-3-methoxypyrazine
Sulfapyrazinemethoxine
Sulfapyrazinemethoxyne
Polycidal
3-Methoxy-2-sulfanilamidopyrazine
Sulfapyrazinemethoxyine
2-Methoxy-3-sulfanilamidopyrazine
Kelfizine W
Longum
Farmitalia 204/122
Policydal
Dalysep
NSC 110433
Vetkelfizina
Identifiers:
SMILES:
COc1ncc[nH]c1=NS(=O)(=O)c1ccc(N)cc1
InChI:
InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
Key Properties
Melting Point
176 °C
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 | |
| Canonical SMILES | O=S(=O)(NC1=NC=CN=C1OC)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)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=KXRZBTAEDBELFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176 °C | CAS Common Chemistry |
| Name | Sulfalene | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 110.42999999999999 Ų | RDKit |
| LogP | 0.2900999999999997 | RDKit |
| Molar Refractivity | 68.74290000000002 | RDKit |
