| CAS Number | 1311317-82-4 |
| Catalog Number | AG019VQZ |
| Chemical Name | 2-chloro-N-{3-[N-(propan-2-yl)methanesulfonamido]propyl}acetamide |
| IUPAC Name | 2-chloro-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]acetamide |
| InChI | InChI=1S/C9H19ClN2O3S/c1-8(2)12(16(3,14)15)6-4-5-11-9(13)7-10/h8H,4-7H2,1-3H3,(H,11,13) |
| InChI Key | WXDSUTBNSREPRQ-UHFFFAOYSA-N |
| MDL Number | MFCD18917232 |
| Molecular Formula | C9H19ClN2O3S |
| Molecular Weight | 270.7768 |
| SMILES | CC(N(S(C)(=O)=O)CCCNC(CCl)=O)C |
| Synonyms | 2-chloro-N-{3-[N-(propan-2-yl)methanesulfonamido]propyl}acetamide,
1311317-82-4,
ZINC68583631,
NE27950,
EN300-48406,
2-chloro-N-{3-[methane(propan-2-yl)sulfonamido]propyl}acetamide,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.772g/mol |
| Monoisotopic Mass | 270.08g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number