| CAS Number | 37093-37-1 |
| Catalog Number | AG019IDS(AGN-PC-0KGJS2) |
| Chemical Name | 2-(piperidin-1-yl)-5-(piperidine-1-sulfonyl)benzoic acid |
| IUPAC Name | 2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzoic acid |
| InChI | InChI=1S/C17H24N2O4S/c20-17(21)15-13-14(24(22,23)19-11-5-2-6-12-19)7-8-16(15)18-9-3-1-4-10-18/h7-8,13H,1-6,9-12H2,(H,20,21) |
| InChI Key | VZMZTMZQLSMEJE-UHFFFAOYSA-N |
| MDL Number | MFCD04608608 |
| Molecular Formula | C17H24N2O4S |
| Molecular Weight | 352.4485 |
| SMILES | OC(C1=C(N2CCCCC2)C=CC(S(N2CCCCC2)(=O)=O)=C1)=O |
| Synonyms | 2-(piperidin-1-yl)-5-(piperidine-1-sulfonyl)benzoic acid,
37093-37-1,
5-(Piperidine-1-sulfonyl)-2-piperidin-1-yl-benzoic acid,
AC1M7RHZ,
MLS002159499,
AC1Q722R,
CHEMBL1533400,
CTK7I6844,
HMS3055L22,
ZINC3331300,
AKOS000117089,
NE35835,
SMR001241954,
EN300-06443,
AB00720073-01,
SR-01000044618,
SR-01000044618-1,
2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzoic acid,
CID2447361,
2-(1-piperidyl)-5-(1-piperidylsulfonyl)benzoic Acid,
|
| Complexity | 533 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.449g/mol |
| Monoisotopic Mass | 352.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number