N-[1-(4-Ethylphenyl)ethylidene]-4-methylbenzenesulfonamide - CAS 1093252-19-7
Catalog: |
BB066033 |
Product Name: |
N-[1-(4-Ethylphenyl)ethylidene]-4-methylbenzenesulfonamide |
CAS: |
1093252-19-7 |
Synonyms: |
N-(1-(4-Ethylphenyl)ethylidene)-4-methylbenzenesulfonamide |
IUPAC Name: | (NE)-N-[1-(4-ethylphenyl)ethylidene]-4-methylbenzenesulfonamide |
Molecular Weight: | 301.4 |
Molecular Formula: | C17H19NO2S |
Canonical SMILES: | CCC1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)C)C |
InChI: | InChI=1S/C17H19NO2S/c1-4-15-7-9-16(10-8-15)14(3)18-21(19,20)17-11-5-13(2)6-12-17/h5-12H,4H2,1-3H3/b18-14+ |
InChI Key: | UXUHGJLFNXLSKB-NBVRZTHBSA-N |
References: | Cui, Dong-Mei, et al. Synlett, (5), 809-811 (2010). |
Complexity: | 448 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 301.11365002 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.11365002 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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