| CAS Number | 81428-01-5 |
| Catalog Number | AG00ID6N(AGN-PC-00M5II) |
| Chemical Name | 2-(1,3-dioxoisoindol-2-yl)-N-methylethanesulfonamide |
| IUPAC Name | 2-(1,3-dioxoisoindol-2-yl)-N-methylethanesulfonamide |
| 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 |
| MDL Number | MFCD00717185 |
| Molecular Formula | C11H12N2O4S |
| Molecular Weight | 268.2890 |
| SMILES | S(CCN1C(C2=CC=CC=C2C1=O)=O)(NC)(=O)=O |
| Synonyms | 81428-01-5,
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-methylethanesulfonamide,
2-(1,3-Dioxoisoindolin-2-yl)-N-methylethanesulfonamide,
2-(1,3-dioxoisoindol-2-yl)-N-methylethanesulfonamide,
2H-Isoindole-2-ethanesulfonamide, 1,3-dihydro-N-methyl-1,3-dioxo-,
SCHEMBL3757316,
CFVLSHVOFAKUNS-UHFFFAOYSA-N,
ALBB-014169,
MFCD00717185,
ZINC63772458,
AKOS005174262,
R3709,
Y2130,
C11H12N2O4S,
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| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.287g/mol |
| Monoisotopic Mass | 268.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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