| CAS Number | 1027785-44-9 |
| Catalog Number | AG00H9UX(AGN-PC-0WR2RC) |
| Chemical Name | tert-Butyl N-{1-[(4-fluorobenzene)sulfonyl]piperidin-4-yl}carbamate |
| IUPAC Name | tert-butyl N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbamate |
| InChI | InChI=1S/C16H23FN2O4S/c1-16(2,3)23-15(20)18-13-8-10-19(11-9-13)24(21,22)14-6-4-12(17)5-7-14/h4-7,13H,8-11H2,1-3H3,(H,18,20) |
| InChI Key | UZOATAZHUDPAJI-UHFFFAOYSA-N |
| MDL Number | MFCD26127213 |
| Molecular Formula | C16H23FN2O4S |
| Molecular Weight | 358.4282 |
| SMILES | O=C(OC(C)(C)C)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)F |
| Synonyms | 1027785-44-9,
tert-Butyl (1-((4-fluorophenyl)sulfonyl)piperidin-4-yl)carbamate,
tert-Butyl N-{1-[(4-fluorobenzene)sulfonyl]piperidin-4-yl}carbamate,
SCHEMBL2060140,
UZOATAZHUDPAJI-UHFFFAOYSA-N,
ZINC47542168,
AKOS024392251,
MCULE-5856358935,
tert-butyl 1-(4-fluorophenylsulfonyl)piperidin-4-ylcarbamate,
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| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.428g/mol |
| Monoisotopic Mass | 358.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number