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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
Names and Synonyms:
Sulfanilamide
Benzenesulfonamide, 4-amino-
Sulfanilamide
4-Aminobenzenesulfonamide
F 1162
Albexan
Albosal
Ambeside
p-Aminobenzenesulfonamide
4-Aminophenylsulfonamide
p-Anilinesulfonamide
Antistrept
Astreptine
Astrocid
Bacteramid
Bactesid
Collomide
Colsulanyde
Copticide
Deseptyl
Ergaseptine
Erysipan
Estreptocida
Fourneau 1162
Gerison
Gombardol
Lusil
Lysococcine
Neococcyl
Orgaseptine
PABS
Prontalbin
Prontosil I
Prontosil Album
Prontosil white
Prontylin
Pronzin Album
Proseptal
Proseptine
Proseptol
Pysococcine
Rubiazol A
Sanamid
Septamide Album
Septanilam
Septinal
Septolix
Septoplex
Septoplix
Stopton Album
Stramid
Strepamide
Strepsan
Streptagol
Streptamid
Streptasol
Streptocid album
Streptoclase
Streptocom
Strepton
Streptosil
Streptozol
Streptozone
p-Sulfamidoaniline
Sulfamidyl
Sulfamine
Sulfana
Sulfanalone
Sulfanil
Sulfocidine
Sulphanilamide
Therapol
White streptocide
Sulfonamide P
Dipron
p-Aminophenylsulfonamide
A-349
Sulphonamide
Sulfonamide
Sulfonylamide
4-Sulfamoylaniline
Streptocid
p-Sulfamoylaniline
Streptocide (white)
Exoseptoplix
Sulfanidyl
Tolder
Infepan
Streptopan
Streptocide
4-(Aminosulfonyl)aniline
Ro 1-3354
1162F
Sulfanilamide Vaginal Cream
(4-(Aminosulfonyl)phenyl)amine
NSC 7618
4-Aminobenzene-1-sulfonamide
Azol
Sulfonamid
4-Aminobenzenesulfonic acid amide
Identifiers:
SMILES:
Nc1ccc(S(N)(=O)=O)cc1
InChI:
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Key Properties
Melting Point
165.5 °C
CAS Common Chemistry
Density
1.08 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 | 172.21 g/mol | CAS Common Chemistry |
| 172.20900000000003 g/mol | RDKit | |
| 172.030648496 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.08 g/cm3 @ Temp: 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 |
| Molar Refractivity | 42.2276 | RDKit |
Related Molecules
Other compounds with formula C6H8N2O2S
