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Molecule
Sulfanilamide
CAS: 63-74-1 · C6H8N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 63-74-1
- Molecular Formula
- C6H8N2O2S
- Molecular Mass
- 172.21 g/mol
Identifiers
CAS Registry Number
63-74-1
SMILES
Nc1ccc(S(N)(=O)=O)cc1
InChI Key
FDDDEECHVMSUSB-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Names and Synonyms
- Sulfanilamide Common Name
- Benzenesulfonamide, 4-amino- Synonym
- Sulfanilamide Synonym
- 4-Aminobenzenesulfonamide Synonym
- F 1162 Synonym
- Albexan Synonym
- Albosal Synonym
- Ambeside Synonym
- p-Aminobenzenesulfonamide Synonym
- 4-Aminophenylsulfonamide Synonym
- p-Anilinesulfonamide Synonym
- Antistrept Synonym
- Astreptine Synonym
- Astrocid Synonym
- Bacteramid Synonym
- Bactesid Synonym
- Collomide Synonym
- Colsulanyde Synonym
- Copticide Synonym
- Deseptyl Synonym
- Ergaseptine Synonym
- Erysipan Synonym
- Estreptocida Synonym
- Fourneau 1162 Synonym
- Gerison Synonym
- Gombardol Synonym
- Lusil Synonym
- Lysococcine Synonym
- Neococcyl Synonym
- Orgaseptine Synonym
- PABS Synonym
- Prontalbin Synonym
- Prontosil I Synonym
- Prontosil Album Synonym
- Prontosil white Synonym
- Prontylin Synonym
- Pronzin Album Synonym
- Proseptal Synonym
- Proseptine Synonym
- Proseptol Synonym
- Pysococcine Synonym
- Rubiazol A Synonym
- Sanamid Synonym
- Septamide Album Synonym
- Septanilam Synonym
- Septinal Synonym
- Septolix Synonym
- Septoplex Synonym
- Septoplix Synonym
- Stopton Album Synonym
- Stramid Synonym
- Strepamide Synonym
- Strepsan Synonym
- Streptagol Synonym
- Streptamid Synonym
- Streptasol Synonym
- Streptocid album Synonym
- Streptoclase Synonym
- Streptocom Synonym
- Strepton Synonym
- Streptosil Synonym
- Streptozol Synonym
- Streptozone Synonym
- p-Sulfamidoaniline Synonym
- Sulfamidyl Synonym
- Sulfamine Synonym
- Sulfana Synonym
- Sulfanalone Synonym
- Sulfanil Synonym
- Sulfocidine Synonym
- Sulphanilamide Synonym
- Therapol Synonym
- White streptocide Synonym
- Sulfonamide P Synonym
- Dipron Synonym
- p-Aminophenylsulfonamide Synonym
- A-349 Synonym
- Sulphonamide Synonym
- Sulfonamide Synonym
- Sulfonylamide Synonym
- 4-Sulfamoylaniline Synonym
- Streptocid Synonym
- p-Sulfamoylaniline Synonym
- Streptocide (white) Synonym
- Exoseptoplix Synonym
- Sulfanidyl Synonym
- Tolder Synonym
- Infepan Synonym
- Streptopan Synonym
- Streptocide Synonym
- 4-(Aminosulfonyl)aniline Synonym
- Ro 1-3354 Synonym
- 1162F Synonym
- Sulfanilamide Vaginal Cream Synonym
- (4-(Aminosulfonyl)phenyl)amine Synonym
- NSC 7618 Synonym
- 4-Aminobenzene-1-sulfonamide Synonym
- Azol Synonym
- Sulfonamid Synonym
- 4-Aminobenzenesulfonic acid amide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.21 g/mol | CAS Common Chemistry |
| 172.20900000000003 g/mol | RDKit | |
| 172.209 g/mol | RDKit | |
| 172.202 g/mol | chempirical lib | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.08 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(N)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=FDDDEECHVMSUSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165.5 °C | CAS Common Chemistry |
| Name | Sulfanilamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | -0.08380000000000004 | RDKit |
| -0.0838 | RDKit | |
| Molar Refractivity | 42.2276 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 172.030648496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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Quick conversion
MW = 172.21 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2O2S.
