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Sulfaphenazole
CAS: 526-08-9 | C15H14N4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
526-08-9
Molecular Formula:
C15H14N4O2S
Molecular Mass:
314.37 g/mol
Names and Synonyms:
Sulfaphenazole
Benzenesulfonamide, 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)-
Sulfanilamide, N1-(1-phenylpyrazol-5-yl)-
4-Amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
3-(p-Aminobenzenesulfonamido)-2-phenylpyrazole
Depocid
Merian
Orisul
N1-(1-Phenylpyrazol-5-yl)sulfanilamide
1-Phenyl-5-sulfanilamidopyrazole
Sulfabid
5-Sulfanilamido-1-phenylpyrazole
Sulfaphenazol
Sulfaphenazole
Sulfaphenylpyrazole
Eftolon
2-Phenyl-3-sulfanilamidopyrazole
Depotsulfonamide
Sulfaphenazon
Sulphaphenazole
Inamil
Isarol
Paidazolo
Raziosulfa
Microtan pirazolo
Firmazolo
Plisulfan
Orisulf
Isarol V
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChI:
InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
Key Properties
Melting Point
181 °C
CAS Common Chemistry
Density
1.40 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 | 314.37 g/mol | CAS Common Chemistry |
| 314.37000000000006 g/mol | RDKit | |
| 314.08374668799996 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.397 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NC1=CC=NN1C=2C=CC=CC2)C3=CC=C(N)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QWCJHSGMANYXCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181 °C | CAS Common Chemistry |
| Name | Sulfaphenazole | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 90.00999999999999 Ų | RDKit |
| LogP | 2.2553 | RDKit |
| Molar Refractivity | 85.2269 | RDKit |
