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4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ylsulfonyl)morpholine - 97%, high purity , CAS No.1093819-54-5
Basic Description
Synonyms
1093819-54-5 | 4-(5-(4,4,5,5-TETRAmethyl-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YLSULFONYL)MORPHOLINE | 4-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)sulfonyl)morpholine | 5-(MORPHOLINOSULFONYL)PYRIDINE-3-BORONIC ACID PINACOL ESTER | 4-[5-(4,
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinesulfonamides
Alternative Parents
Organosulfonamides Morpholines Sulfonyls Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine-3-sulfonamide - Morpholine - Oxazinane - Organosulfonic acid amide - Heteroaromatic compound - 1,3,2-dioxaborolane - Organic sulfonic acid or derivatives - Sulfonyl - Boronic acid ester - Organosulfonic acid or derivatives - Boronic acid derivative - Dialkyl ether - Oxacycle - Ether - Azacycle - Organic metalloid salt - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]sulfonylmorpholine
INCHI
InChI=1S/C15H23BN2O5S/c1-14(2)15(3,4)23-16(22-14)12-9-13(11-17-10-12)24(19,20)18-5-7-21-8-6-18/h9-11H,5-8H2,1-4H3
InChIKey
DJZHQGHRODEJDJ-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)S(=O)(=O)N3CCOCC3
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)S(=O)(=O)N3CCOCC3
PubChem CID
59353593
Molecular Weight
354.23
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
354.200 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
354.142 Da
Monoisotopic Mass
354.142 Da
Topological Polar Surface Area
86.300 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
541.000
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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