Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide

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dc.authoridVeyisoglu, Aysel/0000-0002-1406-5513
dc.authoridAYCAN, TUGBA/0000-0002-5313-7807
dc.authoridCAKMAK, Sukriye/0000-0002-2221-0098
dc.authoridYAKAN, HASAN/0000-0002-4428-4696
dc.authoridTanak, Hasan/0000-0001-5098-0885
dc.authoridEvecen, Meryem/0000-0001-7926-1323
dc.contributor.authorCakmak, Sukriye
dc.contributor.authorAycan, Tugba
dc.contributor.authorYakan, Hasan
dc.contributor.authorVeyisoglu, Aysel
dc.contributor.authorTanak, Hasan
dc.contributor.authorEvecen, Meryem
dc.date.accessioned2025-03-23T19:32:11Z
dc.date.available2025-03-23T19:32:11Z
dc.date.issued2023
dc.departmentSinop Üniversitesi
dc.description.abstractN-[(4-Fluorophenyl)sulfanyl]phthalimide (C14H8FNO2S, FP) was synthesized and characterized using X-ray crystallography. It was then investigated via quantum chemical analysis using the density functional theory (DFT) approach, as well as spectrochemically using FT-IR and H-1 and C-13 NMR spectroscopy, and elemental analysis. The observed and stimulated spectra are in very good agreement for the DFT method. The in vitro antimicrobial activity of FP against three Gram-positive bacteria, three Gram-negative bacteria and two fungi were determined using the serial dilution method, and FP showed the highest anti-bacterial activity against E. coli, with a MIC of 128 mu g ml(-1). Druglikeness, ADME (absorption, distribution, metabolism and excretion) and toxicology studies were carried out to theoretically examine the drug properties of FP.
dc.identifier.doi10.1107/S2053229623003418
dc.identifier.endpage+
dc.identifier.issn2053-2296
dc.identifier.pmid37222420
dc.identifier.scopus2-s2.0-85163914244
dc.identifier.scopusqualityN/A
dc.identifier.startpage249
dc.identifier.urihttps://doi.org/10.1107/S2053229623003418
dc.identifier.urihttps://hdl.handle.net/11486/5440
dc.identifier.volume79
dc.identifier.wosWOS:001004162600005
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherInt Union Crystallography
dc.relation.ispartofActa Crystallographica Section C-Structural Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectsulfenimide
dc.subjectphthalimide
dc.subjectXRD
dc.subjectantimicrobial activity
dc.subjectspectroscopic studies
dc.subjectADMET
dc.subjectcrystal structure
dc.titlePreparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide
dc.typeArticle

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