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Sulfamic acid, phenyl ester

CAS No.:
19792-91-7
Catalog Number:
AG002B70
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
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Product Description
Catalog Number:
AG002B70
Chemical Name:
Sulfamic acid, phenyl ester
CAS Number:
19792-91-7
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
MDL Number:
MFCD00901858
IUPAC Name:
phenyl sulfamate
InChI:
InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChI Key:
XOIYZMDJFLKIEI-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)Oc1ccccc1
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Efficacious N-protection of O-aryl sulfamates with 2,4-dimethoxybenzyl groups. Organic & biomolecular chemistry 20121007
Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target. Journal of medicinal chemistry 20120412
Aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole and vorozole templates. ChemMedChem 20110801
Carbonic anhydrase inhibitors; fluorinated phenyl sulfamates show strong inhibitory activity and selectivity for the inhibition of the tumor-associated isozymes IX and XII over the cytosolic ones I and II. Bioorganic & medicinal chemistry letters 20090901
Recent developments of steroid sulfatase inhibitors as anti-cancer agents. Anti-cancer agents in medicinal chemistry 20081001
Dual aromatase-sulfatase inhibitors based on the anastrozole template: synthesis, in vitro SAR, molecular modelling and in vivo activity. Organic & biomolecular chemistry 20071021
Dual aromatase-sulfatase inhibitors based on the anastrozole template: synthesis, in vitro SAR, molecular modelling and in vivo activity. Organic & biomolecular chemistry 20070921
Synthesis and evaluation of general mechanism-based inhibitors of sulfatases based on (difluoro)methyl phenyl sulfate and cyclic phenyl sulfamate motifs. Bioorganic & medicinal chemistry 20061215
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Carbonic anhydrase inhibitors: inhibition of the human isozymes I, II, VA, and IX with a library of substituted difluoromethanesulfonamides. Bioorganic & medicinal chemistry letters 20051201
Steroid sulfatase: molecular biology, regulation, and inhibition. Endocrine reviews 20050401
A letrozole-based dual aromatase-sulphatase inhibitor with in vivo activity. The Journal of steroid biochemistry and molecular biology 20050201
Carbonic anhydrase inhibitors. Inhibition of cytosolic isozymes I and II and transmembrane, tumor-associated isozyme IX with sulfamates including EMATE also acting as steroid sulfatase inhibitors. Journal of medicinal chemistry 20030522
Structure-activity relationship determination within a group of substituted phenyl sulfamate based compounds against the enzyme oestrone sulfatase. The Journal of pharmacy and pharmacology 20030201
The mechanism of the irreversible inhibition of estrone sulfatase (ES) through the consideration of a range of methane- and amino-sulfonate-based compounds. Bioorganic & medicinal chemistry letters 20020506
Acid dissociation constant, a potential physicochemical factor in the inhibition of the enzyme estrone sulfatase (ES). Bioorganic & medicinal chemistry letters 20010409
Properties