| CAS Number | 591226-92-5 |
| Catalog Number | AG00IAIL(AGN-PC-0WR2R8) |
| Chemical Name | 1-[(4-fluorobenzene)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide |
| IUPAC Name | 1-(4-fluorophenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide |
| InChI | InChI=1S/C20H23FN2O3S/c21-18-6-8-19(9-7-18)27(25,26)23-14-11-17(12-15-23)20(24)22-13-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,22,24) |
| InChI Key | ZANMADQIRCRQQI-UHFFFAOYSA-N |
| MDL Number | MFCD03707477 |
| Molecular Formula | C20H23FN2O3S |
| Molecular Weight | 390.4716 |
| SMILES | O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)F)NCCc1ccccc1 |
| Synonyms | 1-[(4-fluorobenzene)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide,
591226-92-5,
1-[(4-fluorophenyl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide,
AC1LP4CM,
Cambridge id 6950315,
ZINC1156496,
STK178165,
AKOS000429521,
MCULE-3046572277,
EU-0082020,
1-(4-fluorophenyl)sulfonyl-N-phenethylpiperidine-4-carboxamide,
ZINC01156496,
CID1325941,
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| Complexity | 571 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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