[HTML][HTML] The ONIOM method and its applications
The fields of theoretical and computational chemistry have come a long way since their
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
Sulfamic acid and its N-and O-substituted derivatives
W Spillane, JB Malaubier - Chemical reviews, 2014 - ACS Publications
In 1980 sulfamic acid and its N-substituted derivatives were reviewed in Chemical Reviews,
1 effectively updating an earlier 1940 review 2 also in Chemical Reviews. In 1991 the …
1 effectively updating an earlier 1940 review 2 also in Chemical Reviews. In 1991 the …
Intramolecular hydrogen bonds in the sulfonamide derivatives of oxamide, dithiooxamide, and biuret. FT-IR and DFT study, AIM and NBO analysis
BA Shainyan, NN Chipanina, TN Aksamentova… - Tetrahedron, 2010 - Elsevier
The hydrogen bonding in [(1-arylsulfonylamino-2, 2, 2-trichloro) ethyl] biuret 1,[(1-
arylsulfonylamino-2, 2, 2-trichloro) ethyl] oxamide 2, and [(1-arylsulfonylamino-2, 2, 2 …
arylsulfonylamino-2, 2, 2-trichloro) ethyl] oxamide 2, and [(1-arylsulfonylamino-2, 2, 2 …
Theoretical study of gas-phase acidity, pKa, lipophilicity, and solubility of some biologically active sulfonamides
M Remko, CW von der Lieth - Bioorganic & medicinal chemistry, 2004 - Elsevier
The geometries of 19 biologically active substituted sulfonamides (including clinically useful
acetazolamide, methazolamide, ethoxzolamide, dichlorophenamide, dorzolamide, and …
acetazolamide, methazolamide, ethoxzolamide, dichlorophenamide, dorzolamide, and …
[HTML][HTML] Ultrasound-promoted green approach for the synthesis of sulfonamides using natural, stable and reusable Natrolite nanozeolite catalyst at room temperature
M Nasrollahzadeh, A Ehsani… - Ultrasonics …, 2014 - Elsevier
Natural Natrolite nanozeolite has been investigated as an efficient and reusable catalyst for
the N-sulfonylation of amines under ultrasound irradiation at room temperature. Compared …
the N-sulfonylation of amines under ultrasound irradiation at room temperature. Compared …
Theoretical Study on Acidities of (S)-Proline Amide Derivatives in DMSO and Its Implications for Organocatalysis
The acidities (p K a values) of proline amide derivatives are of great importance for
understanding the catalytic activity of proline-based organocatalysts. The development of …
understanding the catalytic activity of proline-based organocatalysts. The development of …
Antitubulin sulfonamides: The successful combination of an established drug class and a multifaceted target
A Vicente‐Blázquez, M González… - Medicinal research …, 2019 - Wiley Online Library
Tubulin, the microtubules and their dynamic behavior are amongst the most successful
antitumor, antifungal, antiparasitic, and herbicidal drug targets. Sulfonamides are exemplary …
antitumor, antifungal, antiparasitic, and herbicidal drug targets. Sulfonamides are exemplary …
Insights into solvent effects on molecular properties, physicochemical parameters, and NLO behavior of brinzolamide, a bioactive sulfonamide: A computational study
S Serin, G Kaya, T Utku - Journal of the Indian Chemical Society, 2022 - Elsevier
In this study, quantum chemical calculations performed on brinzolamide (BZ), a sulfonamide
derivative widely used as an antibacterial and antifungal drug, are presented. The molecular …
derivative widely used as an antibacterial and antifungal drug, are presented. The molecular …
Three new aromatic sulfonamide inhibitors of carbonic anhydrases I, II, IV and XII
CT Supuran, A Maresca, F Gregáň… - Journal of Enzyme …, 2013 - Taylor & Francis
4-Sulfamoyl-N-(3-morpholinopropyl) benzamide (I-1), N-(3-morpholinopropyl) benzene-1, 4-
disulfonamide (I-2) and N-(4-diethylaminoethoxybenzyl) benzene-1, 4-bis (sulfonamide (I-3) …
disulfonamide (I-2) and N-(4-diethylaminoethoxybenzyl) benzene-1, 4-bis (sulfonamide (I-3) …
Dynamic 1H NMR spectroscopic study of the restricted SN rotation in aryl-N-(arylsulfonyl)-N-(triphenylphosphoranylidene) imidocarbamates
AR Modarresi-Alam, F Khamooshi… - Journal of Molecular …, 2007 - Elsevier
Dynamic 1H NMR (500MHz) investigation of aryl-N-(arylsulfonyl)-N-(
triphenylphosphoranylidene) imidocarbamates in CDCl3, CD3COCD3, and CD3OD at the …
triphenylphosphoranylidene) imidocarbamates in CDCl3, CD3COCD3, and CD3OD at the …