sulfamoylamine

• ChemBase ID: 37174
• Molecular Formular: H4N2O2S
• Molecular Mass: 96.10896
• Monoisotopic Mass: 95.99934838
• SMILES: S(=O)(=O)(N)N
• Canonical SMILES: NS(=O)(=O)N
• InChI: InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
• InChIKey: NVBFHJWHLNUMCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfamoylamine
• IUPAC Traditional name: sulfamide
• Synonyms: Sulfuric diamide; Sulfamide; Sulfuryl amide; Imidosulfamic Acid; NSC 252; Sulfonyl Diamide; Sulfuryl Diamide; Sulphamide; Sulfamide; Sulfuric diamide; Sulphuric diamide; Sulphamide; Sulfamide; 硫酰胺; 磺酰胺

Database IDs

• CAS Number: 7803-58-9
• EC Number: 232-262-9
• MDL Number: MFCD00011606
• Merck Index: 148922
• PubChem SID: 24852683; 161000481; 24888504
• PubChem CID: 82267
• CHEBI ID: 29368
• CHEMBL: 355001
• Chemspider ID: 74243
• Wikipedia Title: Sulfamide

CALCULATED PROPERTIES

• Acid pKa: 13.000709
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9913039
• LogD (pH = 7.4): -1.9913049
• Log P: -1.9913039
• Molar Refractivity: 16.8416 cm^3
• Polarizability: 7.750772 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; DMSO; Freely soluble in water; Soluble in water, hot alcohol, acetone. Sparingly soluble in cold alcohol
• Apperance: White orthorhombic plates; White Solid
• Melting Point: 84-87°C; 90-92 °C; 90-92 °C(lit.); 90-92°C; 91-92°C; 91-92°C; 93°C
• Boiling Point: 250°C (decomposition)
• Density: 1.61; 1.611; 1.611 g/ml; 1.611 g/mL at 25 °C(lit.)

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• Storage Warning: IRRITANT; Irritant/Moisture Sensitive; Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37; R
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... CA1(759), CA2(760)

Product Information

• Purity: ≥99.0% (N); 97%; 98%; 99%
• Grade: purum
• Linear Formula: (NH2)2SO2

DETAILS

MP Biomedicals - 02156714

Crystalline

MP Biomedicals - 05218935

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 211370

Application
Used to prepare sulfamide analogs of oleoylethanolamide analogs in a study of PPARα activation.1
Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - S699079

A carbonic anhydrase inhibitor; used for treatment of cancer.

REFERENCES

• Hilvo, M., et al.: Biochem. J., 392, 83 (2001)
• Innocenti, A., et al.: Bioorg. Med. Chem. Lett., 15, 1909 (2001)
• Cerghet, M., et al.: J. Neurosci., 26, 1439 (2001)
• Sterling, D., et al.: J. Biol. Chem., 276, 47886 (2001)