≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)N.C1CCC(CC1)NC2CCCCC2 |
|---|---|
| IUPAC Name | (2S)-5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;N-cyclohexylcyclohexanamine |
| InChIKey | YIFJUFKMGZAOPA-FERBBOLQSA-N |
| INCHI | 1S/C21H26N4O7S.C12H23N/c1-31-16-9-11-17(12-10-16)33(29,30)25-20(22)23-13-5-8-18(19(26)27)24-21(28)32-14-15-6-3-2-4-7-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,24,28)(H,26,27)(H3,22,23,25);11-13H,1-10H2/t18-;/m0./s1 |
| Isomeric SMILES | COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)N.C1CCC(CC1)NC2CCCCC2 |
| PubChem CID | 56777357 |
| Molecular Weight | 659.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Alpha amino acids and derivatives Benzyloxycarbonyls Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Cyclohexylamines Carbamate esters Organosulfonic acids and derivatives Aminosulfonyl compounds Guanidines Dialkylamines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Alpha-amino acid or derivatives - Benzenesulfonamide - Benzyloxycarbonyl - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Cyclohexylamine - Aminosulfonyl compound - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Guanidine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Ether - Carboximidamide - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen 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 | Not available |
| Molecular Weight | 659.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 15 |
| Exact Mass | 659.335 Da |
| Monoisotopic Mass | 659.335 Da |
| Topological Polar Surface Area | 190.000 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 871.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 2 |
