| CAS Number | 2227549-00-8 |
| Catalog Number | AG01FPOL(AGN-PC-3H5P1K) |
| Chemical Name | BI 01383298 |
| IUPAC Name | 1-(3,5-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide |
| InChI | InChI=1S/C19H19Cl2FN2O3S/c20-15-9-16(21)11-18(10-15)28(26,27)24-7-5-14(6-8-24)19(25)23-12-13-1-3-17(22)4-2-13/h1-4,9-11,14H,5-8,12H2,(H,23,25) |
| InChI Key | VUOYAALVGSMUHC-UHFFFAOYSA-N |
| MDL Number | MFCD31916240 |
| Molecular Formula | C19H19Cl2FN2O3S |
| Molecular Weight | 445.3352 |
| SMILES | C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl |
| Synonyms | BI 01383298,
SCHEMBL20258706,
HY-124738,
CS-0087520,
2227549-00-8,
|
| Complexity | 620 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.047747g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.3g/mol |
| Monoisotopic Mass | 444.047747g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number