Back to Search
Sulfisoxazole
CAS: 127-69-5 | C11H13N3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127-69-5
Molecular Formula:
C11H13N3O3S
Molecular Weight:
267.31 g/mol
Names and Synonyms:
Sulfisoxazole
Synonym
NSC 13120
Synonym
Sulsoxin
Synonym
Benzenesulfonamide, 4-amino-N-(3,4-dimethyl-5-isoxazolyl)-
Synonym
Sulfanilamide, N1-(3,4-dimethyl-5-isoxazolyl)-
Synonym
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
Synonym
Alphazole
Synonym
5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole
Synonym
5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole
Synonym
5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole
Synonym
Chemouag
Synonym
N1-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide
Synonym
3,4-Dimethyl-5-sulfanilamidoisoxazole
Synonym
Entusul
Synonym
Gantrisin
Synonym
Gantrosan
Synonym
Neazolin
Synonym
Roxosul tablets
Synonym
Soxisol
Synonym
Stansin
Synonym
Sulbio
Synonym
Sulfadimethylisoxazole
Synonym
Sulfafurazol
Synonym
Sulfafurazole
Synonym
Sulfaisoxazole
Synonym
5-Sulfanilamido-3,4-dimethylisoxazole
Synonym
Sulfazin
Synonym
Sulfisoxazol
Synonym
Sulfisoxazole
Synonym
Sulphafurazole
Synonym
Unisulf
Synonym
Thiasin
Synonym
Amidoxal
Synonym
Neoxazol
Synonym
3,4-Dimethyl-5-sulfonamidoisoxazole
Synonym
Dorsulfan Warthausen
Synonym
Uritrisin
Synonym
Gantrisona
Synonym
Pancid
Synonym
Isoxamin
Synonym
Sulfagan
Synonym
Norilgan-S
Synonym
Sulfasol
Synonym
Sulfisoxazole dialamine
Synonym
Sulphisoxazole
Synonym
Gantrizin
Synonym
4-Amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
Synonym
Sosol
Synonym
Sulfalar
Synonym
Sulfoxol
Synonym
Soxomide
Synonym
NSC 33807
Synonym
NSC 38588
Synonym
NSC 683536
Synonym
N-(3,4-Dimethylisoxazol-5-yl)-4-aminobenzenesulfonamide
Synonym
Soxazole
Synonym
Identifiers:
SMILES:
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
InChI:
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
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 | 267.31 g/mol | Legacy Database |
| density | 1.40 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(=O)(NC=1ON=C(C1C)C)C2=CC=C(N)C=C2 None | Legacy Database |
| cas-density | 1.40 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NHUHCSRWZMLRLA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 194 °C None | Legacy Database |
| cas-name | Sulfisoxazole None | Legacy Database |
| LogP | 1.67444 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 267.31 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 267.067762276 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 18 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 98.22 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 67.63990000000003 | RDKit |