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Molecule
Acetazolamide
CAS: 59-66-5 · C4H6N4O3S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59-66-5
- Molecular Formula
- C4H6N4O3S2
- Molecular Mass
- 222.25 g/mol
Identifiers
CAS Registry Number
59-66-5
SMILES
CC(O)=Nc1nnc(S(N)(=O)=O)s1
InChI Key
BZKPWHYZMXOIDC-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
Names and Synonyms
- Acetazolamide Synonym
- Acetamide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]- Synonym
- Acetamide, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)- Synonym
- N-[5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl]acetamide Synonym
- 5-Acetamide-1,3,4-thiadiazole-2-sulfonamide Synonym
- 2-Acetamido-5-sulfonamido-1,3,4-thiadiazole Synonym
- Acetazolamide Synonym
- Diacarb Synonym
- Diamox Synonym
- Diuramid Synonym
- Edemox Synonym
- Fonurit Synonym
- Natrionex Synonym
- Nephramide Synonym
- Phonurit Synonym
- 5-Acetamido-1,3,4-thiadiazole-2-sulfonamide Synonym
- 2-Acetylamino-1,3,4-thiadiazole-5-sulfonamide Synonym
- Cidamex Synonym
- Acetamox Synonym
- Nephramid Synonym
- Diutazol Synonym
- Diluran Synonym
- Glaupax Synonym
- Donmox Synonym
- Glupax Synonym
- Dehydratin Synonym
- 5-Acetylamino-1,3,4-thiadiazol-2-ylsulfonamide Synonym
- Diakarb Synonym
- Acetazolamid Synonym
- 5-Acetamido-1,3,4-thiodiazole-2-sulfonamide Synonym
- Eumicton Synonym
- Diuramide Synonym
- L 579486 Synonym
- N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide Synonym
- 2-Acetamido-1,3,4-thiadiazole-5-sulfonamide Synonym
- Atenezol Synonym
- Diuriwas Synonym
- Defiltran Synonym
- Didoc Synonym
- Carbonic anhydrase inhibitor 6063 Synonym
- Diureticum-Holzinger Synonym
- NSC 145177 Synonym
- N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide Synonym
- AZM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.25 g/mol | CAS Common Chemistry |
| 222.251 g/mol | RDKit | |
| 222.237 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=NN=C(S1)S(=O)(=O)N)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | CAS Common Chemistry |
| InChI Key | InChIKey=BZKPWHYZMXOIDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 260.5 °C | CAS Common Chemistry |
| Name | Acetazolamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 118.53 Ų | RDKit |
| LogP | -0.2066 | RDKit |
| Molar Refractivity | 46.68000000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 221.988132052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 222.25 g/mol. Edit any field — others recompute live.
