N-morpholin-4-ylbenzenesulfonamide

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C10H14N2O3S/c13-16(14,10-4-2-1-3-5-10)11-12-6-8-15-9-7-12/h1-5,11H,6-9H2, and canonical SMILES descriptor[cheminf_000007]: O=S(=O)(c1ccccc1)NN1CCOCC1, and by the IUPAC name[cheminf_000107]: N-morpholin-4-ylbenzenesulfonamide. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: [2H]C(Cl)(Cl)Cl The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-28291 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: ComP-18270 Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations

这是一个物理化学实体（physical chemical entity）[CHEBI_24431]，与分子（molecule）[CHEBI_25367]相关联。该分子[CHEBI_25367]可通过以下结构描述符（structural descriptors）[cheminf_000085]进行描述：InChI描述符（InChI descriptor）[cheminf_000113]：InChI=1S/C10H14N2O3S/c13-16(14,10-4-2-1-3-5-10)11-12-6-8-15-9-7-12/h1-5,11H,6-9H2，以及规范SMILES描述符（canonical SMILES descriptor）[cheminf_000007]：O=S(=O)(c1ccccc1)NN1CCOCC1，并通过IUPAC名称（IUPAC name）[cheminf_000107]：N-morpholin-4-ylbenzenesulfonamide进行描述。该物理化学实体[CHEBI_24431]含有组分溶剂（component solvent）[CHEBI_46787]，其规范SMILES描述符[cheminf_000007]为：[2H]C(Cl)(Cl)Cl。该物理化学实体[CHEBI_24431]在研究数据仓库chemotion（网址：www.chemotion-repository.net，DOI：https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本ID为：CRS-28291。该物理化学实体[CHEBI_24431]可通过物理描述符（physical descriptors）[CHEMINF_000025]进行描述：熔点描述符[CHEMINF_000256]、沸点描述符[CHEMINF_000257]、折射率描述符[CHEMINF_000253]。该物理化学实体[CHEBI_24431]还可通过以下测定方法（assays）[OBI:0000070][CHMO:0001133]进一步描述：CHMO:0000593 | 氢-1核磁共振波谱法（1H nuclear magnetic resonance spectroscopy，1H NMR）；CHMO:0000595 | 碳-13核磁共振波谱法（13C nuclear magnetic resonance spectroscopy，13C NMR）。该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology，KIT）的分子档案库，样本ID为：ComP-18270。所用本体（ontologies）：CHEBI - 生物相关化学实体（Chemical Entities of Biological Interest）；CHEMINF - 化学信息本体（chemical information ontology，关于化学实体的信息实体）；CHMO - 化学方法本体（Chemical Methods Ontology）；OBI - 生物医学研究本体（Ontology for Biomedical Investigations）