| CAS Number | 1943733-16-1 |
| Catalog Number | AG01EB2A |
| Chemical Name | YU238259 |
| IUPAC Name | N-[2-(5-chloropyridin-2-yl)ethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide |
| InChI | InChI=1S/C22H22ClN3O4S/c1-30-20-8-10-21(11-9-20)31(28,29)26-14-16-2-4-17(5-3-16)22(27)24-13-12-19-7-6-18(23)15-25-19/h2-11,15,26H,12-14H2,1H3,(H,24,27) |
| InChI Key | BIHURSOREGLQBB-UHFFFAOYSA-N |
| MDL Number | MFCD30532769 |
| Molecular Formula | C22H22ClN3O4S |
| Molecular Weight | 459.9458 |
| SMILES | O=C(NCCC1=NC=C(Cl)C=C1)C2=CC=C(CNS(=O)(C3=CC=C(OC)C=C3)=O)C=C2 |
| Synonyms | YU238259,
YU238259,
1943733-16-1,
SCHEMBL17912765,
BCP20794,
EX-A1829,
s8379,
ZINC669685255,
N-(2-(5-chloropyridin-2-yl)ethyl)-4-((4-methoxyphenylsulfonamido)methyl)benzamide,
HY-19977,
YU-238259,
AK00779519,
CS-0017546,
ACN-053685,
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| Complexity | 656 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.945g/mol |
| Monoisotopic Mass | 459.102g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number