| Canonical Smiles | COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCOCC3 |
|---|---|
| IUPAC Name | 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide |
| InChIKey | XJBORLMWYCWUDB-UHFFFAOYSA-N |
| INCHI | 1S/C17H21N3O4S/c1-23-16-5-3-2-4-14(16)19-25(21,22)17-12-13(18)6-7-15(17)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3 |
| Molecular Weight | 363.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Aminobenzenesulfonamides Sulfanilides Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Primary amines Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - Aminobenzenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary amine - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Primary amine - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 363.400 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 363.125 Da |
| Monoisotopic Mass | 363.125 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 518.000 |
| 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 |
