| CAS Number | 949226-53-3 |
| Catalog Number | AG019PII |
| Chemical Name | 2-chloro-1-[6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone |
| InChI | InChI=1S/C15H19ClN2O3S/c16-11-15(19)18-9-3-4-12-10-13(5-6-14(12)18)22(20,21)17-7-1-2-8-17/h5-6,10H,1-4,7-9,11H2 |
| InChI Key | BTCDUTBHRGKFJH-UHFFFAOYSA-N |
| MDL Number | MFCD09802015 |
| Molecular Formula | C15H19ClN2O3S |
| Molecular Weight | 342.8410 |
| SMILES | ClCC(N1C2=C(C=C(S(N3CCCC3)(=O)=O)C=C2)CCC1)=O |
| Synonyms | 2-chloro-1-[6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one,
949226-53-3,
1-(chloroacetyl)-6-(pyrrolidin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline,
AC1Q3TEI,
CTK6H5012,
ZINC12504950,
AKOS030648560,
MCULE-8096543122,
NE22169,
EN300-23812,
|
| Complexity | 513 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.838g/mol |
| Monoisotopic Mass | 342.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number