4-methyl-N'-(3-methylphenyl)benzenesulfonohydrazide

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/C14H16N2O2S/c1-11-6-8-14(9-7-11)19(17,18)16-15-13-5-3-4-12(2)10-13/h3-10,15-16H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc(cc1)S(=O)(=O)NNc1cccc(c1)C, and by the IUPAC name[cheminf_000107]: 4-methyl-N'-(3-methylphenyl)benzenesulfonohydrazide. 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-28297 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-18255 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

本数据对应的是与某分子[CHEBI_25367]相关联的物理化学实体（physical chemical entity）[CHEBI_24431]。该分子[CHEBI_25367]可通过以下结构描述符（structural descriptors）[cheminf_000085]进行表征：InChI描述符（InChI descriptor）[cheminf_000113]为：InChI=1S/C14H16N2O2S/c1-11-6-8-14(9-7-11)19(17,18)16-15-13-5-3-4-12(2)10-13/h3-10,15-16H,1-2H3；标准SMILES描述符（canonical SMILES descriptor）[cheminf_000007]为：Cc1ccc(cc1)S(=O)(=O)NNc1cccc(c1)C；以及IUPAC命名（IUPAC name）[cheminf_000107]为：4-甲基-N'-(3-甲基苯基)苯磺酰肼。

该物理化学实体[CHEBI_24431]含有组分组溶剂（component solvent）[CHEBI_46787]，其标准SMILES描述符[cheminf_000007]为：[2H]C(Cl)(Cl)Cl。该物理化学实体[CHEBI_24431]在研究数据仓储chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本编号为：CRS-28297。

该物理化学实体[CHEBI_24431]的物理描述符[CHEMINF_000025]包含：熔点描述符[CHEMINF_000256]、沸点描述符[CHEMINF_000257]及折射率描述符[CHEMINF_000253]（未提供具体数值）。该物理化学实体[CHEBI_24431]还可通过以下分析测试方法[OBI:0000070][CHMO:0001133]进行表征：CHMO:0000593 | 1H核磁共振波谱法（1H nuclear magnetic resonance spectroscopy, 1H NMR）；CHMO:0000595 | 13C核磁共振波谱法（13C nuclear magnetic resonance spectroscopy, 13C NMR）。

该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology, KIT）的分子档案库，对应的样本编号为：ComP-18255。

所用本体包括：CHEBI（生物兴趣化学实体，Chemical Entities of Biological Interest）、CHEMINF（化学信息本体，chemical information ontology）、CHMO（化学方法本体，Chemical Methods Ontology）及OBI（生物调查本体，Ontology for Biomedical Investigations）。