| CAS Number | 949226-49-7 |
| Catalog Number | AG019PIM |
| Chemical Name | 2-chloro-1-[5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone |
| InChI | InChI=1S/C15H19ClN2O3S/c16-11-15(19)18-9-6-12-10-13(4-5-14(12)18)22(20,21)17-7-2-1-3-8-17/h4-5,10H,1-3,6-9,11H2 |
| InChI Key | IZXSYNQHRPHPDO-UHFFFAOYSA-N |
| MDL Number | MFCD09802016 |
| Molecular Formula | C15H19ClN2O3S |
| Molecular Weight | 342.841 |
| SMILES | ClCC(N1C2=C(C=C(S(N3CCCCC3)(=O)=O)C=C2)CC1)=O |
| Synonyms | 2-chloro-1-[5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one,
949226-49-7,
1-(chloroacetyl)-5-(piperidin-1-ylsulfonyl)indoline,
AC1Q3TE9,
CTK6H4999,
ZINC12504954,
AKOS008071709,
MCULE-5521583119,
NE18367,
EN300-23820,
|
| 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