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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 Weight:
172.20900000000003 g/mol
Names and Synonyms:
Sulfanilamide
1162F
4-Aminobenzenesulfonic acid amide
Sulfonamid
Azol
4-Aminobenzene-1-sulfonamide
NSC 7618
(4-(Aminosulfonyl)phenyl)amine
Sulfanilamide Vaginal Cream
Ro 1-3354
4-(Aminosulfonyl)aniline
Streptocide
Streptopan
Infepan
Tolder
Sulfanidyl
Exoseptoplix
Streptocide (white)
p-Sulfamoylaniline
Streptocid
4-Sulfamoylaniline
Sulfonylamide
Sulfonamide
Sulphonamide
A-349
p-Aminophenylsulfonamide
Dipron
Sulfonamide P
White streptocide
Therapol
Sulphanilamide
Sulfocidine
Sulfanil
Sulfanalone
Sulfana
Sulfamine
Sulfamidyl
p-Sulfamidoaniline
Streptozone
Streptozol
Streptosil
Strepton
Streptocom
Streptoclase
Streptocid album
Streptasol
Streptamid
Streptagol
Strepsan
Strepamide
Stramid
Stopton Album
Septoplix
Septoplex
Septolix
Septinal
Septanilam
Septamide Album
Sanamid
Rubiazol A
Pysococcine
Proseptol
Proseptine
Proseptal
Pronzin Album
Prontylin
Prontosil white
Prontosil Album
Prontosil I
Prontalbin
PABS
Orgaseptine
Neococcyl
Lysococcine
Lusil
Gombardol
Gerison
Fourneau 1162
Estreptocida
Erysipan
Ergaseptine
Deseptyl
Copticide
Colsulanyde
Collomide
Bactesid
Bacteramid
Astrocid
Astreptine
Antistrept
p-Anilinesulfonamide
4-Aminophenylsulfonamide
p-Aminobenzenesulfonamide
Ambeside
Albosal
Albexan
F 1162
4-Aminobenzenesulfonamide
Sulfanilamide
Benzenesulfonamide, 4-amino-
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 172.21 g/mol | Legacy Database |
| density | 1.08 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(=O)(N)C1=CC=C(N)C=C1 None | Legacy Database |
| cas-density | 1.08 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=FDDDEECHVMSUSB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 165.5 °C None | Legacy Database |
| cas-name | Sulfanilamide None | Legacy Database |
| LogP | -0.08380000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 172.20900000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 172.030648496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 86.18 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.2276 | RDKit |
