Sulfamide - CAS 7803-58-9

Catalog:	BB036103
Product Name:	Sulfamide
CAS:	7803-58-9
Synonyms:	sulfamide; sulfamide

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	sulfamide
Description:	A carbonic anhydrase inhibitor; used for treatment of cancer.
Molecular Weight:	96.11
Molecular Formula:	H4N2O2S
Canonical SMILES:	NS(=O)(=O)N
InChI:	InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
InChI Key:	NVBFHJWHLNUMCV-UHFFFAOYSA-N
Purity:	99 %
Density:	1.611 g/mL at 25 °C (lit.)
Solubility:	soluble in Water
MDL:	MFCD00011606
LogP:	0.63000

Publication Number	Title	Priority Date
CN-113416149-A	Biaryl axial chiral compound synthesized by nitrogen heterocyclic carbene catalysis and preparation method thereof	20210803
CN-113501772-A	Synthetic method of biphenyl-3-sulfonyl chloride derivative	20210728
CN-113372335-A	Phenylalanine derivative containing 1,2, 4-triazole thioether and preparation method and application thereof	20210705
CN-113461667-A	Method for synthesizing nicosulfuron by hydrogen sulfide closed loop	20210630
CN-113325050-A	Method for rapidly and highly sensitively detecting SM2 in animal-derived food	20210531

PMID	Publication Date	Title	Journal
30344913	20181011	Famotidine, an Antiulcer Agent, Strongly Inhibits Helicobacter pylori and Human Carbonic Anhydrases	ACS medicinal chemistry letters
28521261	20170818	Novel anti-inflammatory agents targeting CXCR4: Design, synthesis, biological evaluation and preliminary pharmacokinetic study	European journal of medicinal chemistry
23623256	20130601	Synthesis and carbonic anhydrase inhibitory properties of sulfamides structurally related to dopamine	Bioorganic & medicinal chemistry
23474388	20130415	Optimization of allosteric MEK inhibitors. Part 1: Venturing into underexplored SAR territories	Bioorganic & medicinal chemistry letters
23072866	20121201	Anion inhibition studies of the fastest carbonic anhydrase (CA) known, the extremo-CA from the bacterium Sulfurihydrogenibium azorense	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	85.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	95.99934855
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	95.99934855
Rotatable Bond Count:	0
Topological Polar Surface Area:	94.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.7