2-(1,3-Dioxoisoindol-2-yl)-N-methylethanesulfonamide - CAS 81428-01-5
Catalog: |
BB067233 |
Product Name: |
2-(1,3-Dioxoisoindol-2-yl)-N-methylethanesulfonamide |
CAS: |
81428-01-5 |
Synonyms: |
2-(1,3-dioxoisoindol-2-yl)-N-methylethanesulfonamide; 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-methylethanesulfonamide; 2-(1,3-Dioxoisoindolin-2-yl)-N-methylethanesulfonamide |
IUPAC Name: | 2-(1,3-dioxoisoindol-2-yl)-N-methylethanesulfonamide |
Description: | 2-(1,3-Dioxoisoindol-2-yl)-N-methylethanesulfonamide |
Molecular Weight: | 268.29 |
Molecular Formula: | C11H12N2O4S |
Canonical SMILES: | CNS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C11H12N2O4S/c1-12-18(16,17)7-6-13-10(14)8-4-2-3-5-9(8)11(13)15/h2-5,12H,6-7H2,1H3 |
InChI Key: | CFVLSHVOFAKUNS-UHFFFAOYSA-N |
Complexity: | 430 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.05177804 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.05177804 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 91.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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