Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488200852 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200852 |
| Canonical Smiles | CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C |
| IUPAC Name | 4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide |
| InChIKey | YUNQZQREIHWDQT-UHFFFAOYSA-N |
| INCHI | 1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C |
| Alternate CAS | 919973-83-4 |
| Molecular Weight | 440.31 |
| Reaxy-Rn | 29209411 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29209411&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 | Sulfanilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfanilides |
| Alternative Parents | Benzenesulfonamides Methoxyanilines Benzimidazoles Benzenesulfonyl compounds Anisoles Toluenes Alkyl aryl ethers Bromobenzenes Organosulfonamides N-substituted imidazoles Aryl bromides Aminosulfonyl compounds Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Sulfanilide - Benzenesulfonamide - Benzimidazole - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Toluene - Organosulfonic acid amide - Aryl halide - Aryl bromide - N-substituted imidazole - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Azole - Urea - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. |
| External Descriptors | Not available |
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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 | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Feb 04, 2026 | O286836 | |
| Certificate of Analysis | Mar 20, 2023 | O286836 | |
| Certificate of Analysis | Mar 20, 2023 | O286836 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 8.81, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 440.300 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 439.02 Da |
| Monoisotopic Mass | 439.02 Da |
| Topological Polar Surface Area | 87.300 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 640.000 |
| 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 |
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View Moligand™ grade guide →