| CAS Number | 122081-15-6 |
| Catalog Number | AG019EL0(AGN-PC-01C925) |
| Chemical Name | 4-Methyl-N-(3-Oxo-3-(Pyrrolidin-1-Yl)Propyl)Benzenesulfonamide |
| IUPAC Name | 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide |
| InChI | InChI=1S/C14H20N2O3S/c1-12-4-6-13(7-5-12)20(18,19)15-9-8-14(17)16-10-2-3-11-16/h4-7,15H,2-3,8-11H2,1H3 |
| InChI Key | NZXPUOYUCFQYBH-UHFFFAOYSA-N |
| MDL Number | MFCD02937382 |
| Molecular Formula | C14H20N2O3S |
| Molecular Weight | 296.3852 |
| SMILES | O=C(N1CCCC1)CCNS(=O)(=O)c1ccc(cc1)C |
| Synonyms | 4-Methyl-N-(3-oxo-3-(pyrrolidin-1-yl)propyl)benzenesulfonamide,
122081-15-6,
Oprea1_716059,
SCHEMBL6749335,
NZXPUOYUCFQYBH-UHFFFAOYSA-N,
MFCD02937382,
ZINC10462928,
AKOS027428940,
CS-W000085,
SR-01000576861,
SR-01000576861-1,
3-{[(4-methylphenyl)sulfonyl]amino}-1-pyrrolidinylpropan-1-one,
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| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.385g/mol |
| Monoisotopic Mass | 296.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number