| CAS Number | 929973-02-4 |
| Catalog Number | AG019P8A |
| Chemical Name | 2-Chloro-1-[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone |
| InChI | InChI=1S/C16H21ClN2O3S/c17-12-16(20)18-7-9-19(10-8-18)23(21,22)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11H,1-4,7-10,12H2 |
| InChI Key | LDVXWIYWRRICLQ-UHFFFAOYSA-N |
| MDL Number | MFCD09040341 |
| Molecular Formula | C16H21ClN2O3S |
| Molecular Weight | 356.8675 |
| SMILES | ClCC(N1CCN(S(C2=CC3=C(CCCC3)C=C2)(=O)=O)CC1)=O |
| Synonyms | 929973-02-4,
1-(chloroacetyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine,
2-Chloro-1-(4-((5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl)piperazin-1-yl)ethan-1-one,
2-chloro-1-[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]ethan-1-one,
AC1Q3TF9,
CTK6H5138,
ZINC8981616,
AKOS030648538,
MCULE-7818689982,
NE14095,
EN300-22620,
|
| Complexity | 526 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.865g/mol |
| Monoisotopic Mass | 356.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number