Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sorrisi canonici | Fc1ccc2c(c1)c(C)c(s2)S(=O)(=O)Nc1ccc(cc1S(=O)(=O)C)c1scc(n1)C(=O)O |
|---|---|
| IUPAC Name | 2-[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-1,3-thiazole-4-carboxylic acid |
| InChIKey | CBRCULCCRGSSLB-UHFFFAOYSA-N |
| INCHI | 1S/C20H15FN2O6S4/c1-10-13-8-12(21)4-6-16(13)31-20(10)33(28,29)23-14-5-3-11(7-17(14)32(2,26)27)18-22-15(9-30-18)19(24)25/h3-9,23H,1-2H3,(H,24,25) |
| Isomeri SMILES | CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C4=NC(=CS4)C(=O)O)S(=O)(=O)C |
| PubChem CID | 9828275 |
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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Sulfanilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfanilides |
| Alternative Parents | 1-benzothiophenes Benzenesulfonyl compounds Thiazolecarboxylic acids and derivatives 2,4-disubstituted thiazoles Organosulfonamides Aryl fluorides Thiophenes Sulfones Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Sulfanilide - Benzothiophene - Benzenesulfonyl group - 1-benzothiophene - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Organic sulfonic acid or derivatives - Azole - Heteroaromatic compound - Sulfone - Aminosulfonyl compound - Thiophene - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descrizione | 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 |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Peso molecolare | 526.600 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 525.98 Da |
| Monoisotopic Mass | 525.98 Da |
| Topological Polar Surface Area | 204.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 953.000 |
| 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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