4-(2-Aminoethyl)benzenesulfonamide - CAS 35303-76-5
Catalog: |
BB022602 |
Product Name: |
4-(2-Aminoethyl)benzenesulfonamide |
CAS: |
35303-76-5 |
Synonyms: |
4-(2-aminoethyl)benzenesulfonamide |
IUPAC Name: | 4-(2-aminoethyl)benzenesulfonamide |
Description: | 4-(2-Aminoethyl)benzenesulfonamide (CAS# 35303-76-5) is used as the starting material in the synthesis of Des(5-methylpyrazinecarbonyl) trans-4-Methyl Glipizide (D292605); a degradation product of Glimepiride (G410150) which is a sulfonylurea hypoglycemic agent and an antidiabetic. 4-(2-Aminoethyl)benzenesulfonamide is also used as a reagent in the synthesis of deorphaning pyrrolopyrazines as potent multi-target antimalarial agents. |
Molecular Weight: | 200.26 |
Molecular Formula: | C8H12N2O2S |
Canonical SMILES: | C1=CC(=CC=C1CCN)S(=O)(=O)N |
InChI: | InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12) |
InChI Key: | FXNSVEQMUYPYJS-UHFFFAOYSA-N |
Boiling Point: | 387.4 °C at 760 mmHg |
Density: | 1.293 g/cm3 |
MDL: | MFCD00010301 |
LogP: | 2.31660 |
GHS Hazard Statement: | H302 (65%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22424239 | 20120412 | Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target | Journal of medicinal chemistry |
22370338 | 20120401 | Design and synthesis of thiourea compounds that inhibit transmembrane anchored carbonic anhydrases | Bioorganic & medicinal chemistry |
22386980 | 20120401 | Mutation of active site residues Asn67 to Ile, Gln92 to Val and Leu204 to Ser in human carbonic anhydrase II: influences on the catalytic activity and affinity for inhibitors | Bioorganic & medicinal chemistry |
22285172 | 20120215 | Cloning, characterization and sulfonamide inhibition studies of an α-carbonic anhydrase from the living fossil sponge Astrosclera willeyana | Bioorganic & medicinal chemistry |
21757360 | 20110815 | Inhibition studies of the β-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates | Bioorganic & medicinal chemistry |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.06194880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.06194880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 94.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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