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Molecule
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
Identifiers
CAS Registry Number
526-08-9
SMILES
Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChI Key
QWCJHSGMANYXCW-UHFFFAOYSA-N
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
Names and Synonyms
- Sulfaphenazole Synonym
- Benzenesulfonamide, 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)- Synonym
- Sulfanilamide, N1-(1-phenylpyrazol-5-yl)- Synonym
- 4-Amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide Synonym
- 3-(p-Aminobenzenesulfonamido)-2-phenylpyrazole Synonym
- Depocid Synonym
- Merian Synonym
- Orisul Synonym
- N1-(1-Phenylpyrazol-5-yl)sulfanilamide Synonym
- 1-Phenyl-5-sulfanilamidopyrazole Synonym
- Sulfabid Synonym
- 5-Sulfanilamido-1-phenylpyrazole Synonym
- Sulfaphenazol Synonym
- Sulfaphenazole Synonym
- Sulfaphenylpyrazole Synonym
- Eftolon Synonym
- 2-Phenyl-3-sulfanilamidopyrazole Synonym
- Depotsulfonamide Synonym
- Sulfaphenazon Synonym
- Sulphaphenazole Synonym
- Inamil Synonym
- Isarol Synonym
- Paidazolo Synonym
- Raziosulfa Synonym
- Microtan pirazolo Synonym
- Firmazolo Synonym
- Plisulfan Synonym
- Orisulf Synonym
- Isarol V Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.37 g/mol | CAS Common Chemistry |
| 314.37000000000006 g/mol | RDKit | |
| 314.363 g/mol | chempirical lib | |
| 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 |
| 4 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 90.00999999999999 Ų | RDKit |
| 90.01 Ų | RDKit | |
| LogP | 2.2553 | RDKit |
| Molar Refractivity | 85.2269 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 314.08374668799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 314.37 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
