| CAS Number | 6712-89-6 |
| Catalog Number | AG01A3RQ |
| Chemical Name | 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propane-1-sulfonamide |
| IUPAC Name | 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide |
| InChI | InChI=1S/C11H12N2O4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2,(H2,12,16,17) |
| InChI Key | WKRSAGZLXVSWMX-UHFFFAOYSA-N |
| MDL Number | MFCD23144076 |
| Molecular Formula | C11H12N2O4S |
| Molecular Weight | 268.2890 |
| SMILES | NS(CCCN1C(=O)C2=C(C=CC=C2)C1=O)(=O)=O |
| Synonyms | 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propane-1-sulfonamide,
6712-89-6,
SCHEMBL3418095,
N-(3-Sulfamoylpropyl)phthalimide,
ZINC38778370,
NE42716,
CID10400827,
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide,
|
| 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 | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number