N-[1-(2-Chlorophenyl)ethylidene]-4-methylbenzenesulfonamide - CAS 1634691-64-7
Catalog: |
BB069903 |
Product Name: |
N-[1-(2-Chlorophenyl)ethylidene]-4-methylbenzenesulfonamide |
CAS: |
1634691-64-7 |
Synonyms: |
N-(1-(2-Chlorophenyl)ethylidene)-4-methylbenzenesulfonamide |
IUPAC Name: | (NE)-N-[1-(2-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide |
Description: | N-[1-(2-Chlorophenyl)ethylidene]-4-methylbenzenesulfonamide is used as a reactant in the enantioselective synthesis of benzisothiazolopyridinones and dihydropyridinones. |
Molecular Weight: | 307.8 |
Molecular Formula: | C15H14ClNO2S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N=C(C)C2=CC=CC=C2Cl |
InChI: | InChI=1S/C15H14ClNO2S/c1-11-7-9-13(10-8-11)20(18,19)17-12(2)14-5-3-4-6-15(14)16/h3-10H,1-2H3/b17-12+ |
InChI Key: | NSNNQFCZJXHJFO-SFQUDFHCSA-N |
References: | Zhang, Han-Ming, et al. Asian J. of Org. Chem., 3(4), 462-465 (2014). |
Complexity: | 447 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 307.0433776 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.0433776 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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