N-(Phenylmethyl)ethenesulfonamide - CAS 75454-03-4
Catalog: |
BB058198 |
Product Name: |
N-(Phenylmethyl)ethenesulfonamide |
CAS: |
75454-03-4 |
Synonyms: |
N-Benzylethenesulfonamide |
IUPAC Name: | N-benzylethenesulfonamide |
Description: | N-(Phenylmethyl)ethenesulfonamide is used in the synthesis of sulfone-containing aminoglycoside-CoA substrates as mechanistic probes for aminoglycoside N-6'-acetyl transferase. |
Molecular Weight: | 197.25 |
Molecular Formula: | C9H11NO2S |
Canonical SMILES: | C=CS(=O)(=O)NCC1=CC=CC=C1 |
InChI: | InChI=1S/C9H11NO2S/c1-2-13(11,12)10-8-9-6-4-3-5-7-9/h2-7,10H,1,8H2 |
InChI Key: | GCEYCKWJLKOCGM-UHFFFAOYSA-N |
References: | Gao, F. et al. Bioorg. Med. Chem. Lett., 18, 5518 (2008); Zhao, M. et al. J. Org. Chem., 70, 6944 (2005). |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.05104977 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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