| CAS Number | 921090-59-7 |
| Catalog Number | AG019L5H |
| Chemical Name | 4-(Piperidine-1-sulfonyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-piperidin-1-ylsulfonylbenzenesulfonyl chloride |
| InChI | InChI=1S/C11H14ClNO4S2/c12-18(14,15)10-4-6-11(7-5-10)19(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2 |
| InChI Key | JWZLPLIHIUJEDU-UHFFFAOYSA-N |
| MDL Number | MFCD08444969 |
| Molecular Formula | C11H14ClNO4S2 |
| Molecular Weight | 323.8162 |
| SMILES | ClS(C1=CC=C(S(N2CCCCC2)(=O)=O)C=C1)(=O)=O |
| Synonyms | 4-(piperidin-1-ylsulfonyl)benzenesulfonyl chloride,
4-(piperidine-1-sulfonyl)benzene-1-sulfonyl chloride,
921090-59-7,
AC1Q3VL0,
CTK7I1977,
AKOS000134233,
ZINC100522546,
MCULE-1959374627,
NE41410,
EN300-29909,
4-(piperidin-1-ylsulfonyl)benzene-1-sulfonyl chloride,
|
| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.806g/mol |
| Monoisotopic Mass | 323.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number