| CAS Number | 1951439-99-8 |
| Catalog Number | AG00I37C(AGN-PC-0WP1SV) |
| Chemical Name | N-{1-[(4-Fluorobenzene)sulfonyl]piperidin-3-yl}-3-phenylpropanamide |
| IUPAC Name | N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide |
| InChI | InChI=1S/C20H23FN2O3S/c21-17-9-11-19(12-10-17)27(25,26)23-14-4-7-18(15-23)22-20(24)13-8-16-5-2-1-3-6-16/h1-3,5-6,9-12,18H,4,7-8,13-15H2,(H,22,24) |
| InChI Key | JESLSQXVSJEUFE-UHFFFAOYSA-N |
| MDL Number | MFCD30182386 |
| Molecular Formula | C20H23FN2O3S |
| Molecular Weight | 390.4716 |
| SMILES | O=C(NC1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)CCc1ccccc1 |
| Synonyms | N-{1-[(4-Fluorobenzene)sulfonyl]piperidin-3-yl}-3-phenylpropanamide,
1951439-99-8,
|
| Complexity | 579 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.473g/mol |
| Monoisotopic Mass | 390.141g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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