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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3(Cl)Cl |
|---|---|
| IUPAC Name | 3,3-dichloro-5-morpholin-4-ylsulfonyl-1H-indol-2-one |
| InChIKey | YNROIUFYFNVODT-UHFFFAOYSA-N |
| INCHI | 1S/C12H12Cl2N2O4S/c13-12(14)9-7-8(1-2-10(9)15-11(12)17)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6H2,(H,15,17) |
| Molecular Weight | 351.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Benzenoids Organosulfonamides Morpholines Sulfonyls Secondary carboxylic acid amides Lactams Azacyclic compounds Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Alkyl chlorides Carbonyl compounds Organonitrogen compounds Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Morpholine - Oxazinane - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Molecular Weight | 351.200 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 349.989 Da |
| Monoisotopic Mass | 349.989 Da |
| Topological Polar Surface Area | 84.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 528.000 |
| 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 |