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Sulfadiazine
CAS: 68-35-9 | C10H10N4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68-35-9
Molecular Formula:
C10H10N4O2S
Molecular Mass:
250.28 g/mol
Names and Synonyms:
Sulfadiazine
Benzenesulfonamide, 4-amino-N-2-pyrimidinyl-
Sulfanilamide, N1-2-pyrimidinyl-
Sulfanilamide, N1-2(1H)-pyrimidinylidene-
4-Amino-N-2-pyrimidinylbenzenesulfonamide
RP 2616
Adiazine
Coco-Diazine
Cremodiazine
Debenal
Diazin
Di-Azo-Mul
Diazyl
Eskadiazine
Honey diazine
Lipo-Diazine
Lipo-Levazine
Microsulfon
Neazine
Pyrimal
N1-2-Pyrimidylsulfanilamide
SDA
Spofadrizine
Sterazine
Sulfadiazine
2-Sulfanilamidopyrimidine
2-Sulfanilylaminopyrimidine
Sulfazine
Sulphadiazine
Sulfapyrimidine
Theradiazine
A 306
Sulfazin (Russian pharmaceutical)
Sulfazin
Sulfadiazin
Adiazin
Pirimal
Sulfapirimidin
N1-2-Pyrimidinylsulfanilamide
Liquadiazine
Sanodiazine
SN 112
Deltazina
Piridisir
Diazolone
Diazovit
2-(4-Aminobenzenesulfonamido)pyrimidine
Sulphadiazine E
Sulfadiazina Reig Jofre
Sulfolex
NSC 35600
2-(4-Aminobenzenesulfonylamino)pyrimidine
4-Amino-N-(2-pyrimidyl)benzenesulfonamide
2-(p-Aminobenzenesulfonamido)pyrimidin
4-[[(Pyrimidin-2-yl)amino]sulfonyl]aniline
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChI:
InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
Key Properties
Melting Point
255.5 °C (decomp)
CAS Common Chemistry
Density
1.52 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 | 250.28 g/mol | CAS Common Chemistry |
| 250.28300000000004 g/mol | RDKit | |
| 250.05244656 g/mol | RDKit | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.52 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NC1=NC=CC=N1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=SEEPANYCNGTZFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 255.5 °C (decomp) | CAS Common Chemistry |
| Name | Sulfadiazine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 97.97 Ų | RDKit |
| LogP | 0.8596000000000001 | RDKit |
| Molar Refractivity | 63.69490000000001 | RDKit |
