Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A derivitized sulfonyl urea compound.
| ALogP | 2.3 |
|---|
| Pubchem Sid | 504750595 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750595 |
| Canonical Smiles | CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl |
| IUPAC Name | 1-(4-chlorophenyl)sulfonyl-3-propylurea |
| InChIKey | RKWGIWYCVPQPMF-UHFFFAOYSA-N |
| INCHI | 1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14) |
| Isomeric SMILES | CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl |
| WGK Germany | 3 |
| RTECS | YS6650000 |
| Molecular Weight | 276.74 |
| Reaxy-Rn | 2218363 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2218363&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Sulfonylureas Chlorobenzenes Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Sulfonylurea - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboximidic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | monochlorobenzenes - N-sulfonylurea |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 15, 2026 | C129531 | |
| Certificate of Analysis | May 21, 2026 | C129531 | |
| Certificate of Analysis | Apr 03, 2026 | C129531 | |
| Certificate of Analysis | Apr 03, 2026 | C129531 | |
| Certificate of Analysis | Apr 03, 2026 | C129531 | |
| Certificate of Analysis | Apr 03, 2026 | C129531 | |
| Certificate of Analysis | Nov 12, 2024 | C129531 | |
| Certificate of Analysis | Jul 11, 2022 | C129531 |
| Solubility | Soluble in ethanol (1:12), acetone (1:5), chloroform (1:9), and solutions of alkali hydroxides.. Does not mix well with water. |
|---|---|
| Melt Point(°C) | 128 °C |
| Molecular Weight | 276.740 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 276.034 Da |
| Monoisotopic Mass | 276.034 Da |
| Topological Polar Surface Area | 83.700 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 345.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zixian He, Zhiwei Liu, Haihuan Xie, Pengjie Luo, Xiangmei Li. (2023) An Ultrasensitive Lateral Flow Immunoassay Based on Metal-Organic Framework-Decorated Polydopamine for Multiple Sulfonylureas Adulteration in Functional Foods. Foods, 12 (3): (539). [PMID:36766067] [10.3390/foods12030539] |
| 2. Haihuan Xie, Yingying Li, Jin Wang, Yi Lei, Anastasios Koidis, Xiangmei Li, Xing Shen, Zhenlin Xu, Hongtao Lei. (2021) Broad-specific immunochromatography for simultaneous detection of various sulfonylureas in adulterated multi-herbal tea. FOOD CHEMISTRY, [PMID:34536782] [10.1016/j.foodchem.2021.131055] |
| 3. Zhengyong Wang, Yuqi Cao, Yingjie Lu, Fang Zhang, Yue Su, Yinlong Guo. (2020) Ultrasonic extraction and nebulization in real-time coupled with carbon fiber ionization mass spectrometry for rapid screening of the synthetic drugs adulterated into herbal products. ANALYTICA CHIMICA ACTA, [PMID:33081950] [10.1016/j.aca.2020.08.045] |
| 4. Huimin Liu, Shui Wang, Chao Qu, Manman Li, Yixin Qu. (2020) Solid–Liquid Equilibrium of Chlorpropamide in 14 Pure Solvents at Temperature of 283.15 to 323.15 K. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.0c00169] |
| 5. Xiaoting Yu, Tao Zhou, Kangliang Pan, Michelle Huiying Fan, Xinfu Yan, Xin-An Huang, Huiling Zhang, Xing Shen, Haihuan Xie, Yong-Gui Gao, Hongtao Lei. (2025) Structure Profiling of Broad-Specificity Immunoassays: Multitarget Recognition for Sulfonylurea Adulteration in Food. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:40173361] [10.1021/acs.jafc.5c00655] |
| 6. Shu-Jun Gu, Liu Xu, Hong-Kun Zhou, Jie Yang. (2025) Metabolomics to Reveal Diagnostic Biomarkers in CA19-9 Negative Pancreatic Ductal Adenocarcinoma: A Cross-Sectional Study. JOURNAL OF PROTEOME RESEARCH, [PMID:41400034] [10.1021/acs.jproteome.5c00615] |
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