| CAS Number | 735322-72-2 |
| Catalog Number | AG019IIJ |
| Chemical Name | methyl 4-[2-amino-4-(piperidine-1-sulfonyl)phenoxy]benzoate |
| IUPAC Name | methyl 4-(2-amino-4-piperidin-1-ylsulfonylphenoxy)benzoate |
| InChI | InChI=1S/C19H22N2O5S/c1-25-19(22)14-5-7-15(8-6-14)26-18-10-9-16(13-17(18)20)27(23,24)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12,20H2,1H3 |
| InChI Key | KHOIAHNAKYMANE-UHFFFAOYSA-N |
| MDL Number | MFCD04614723 |
| Molecular Formula | C19H22N2O5S |
| Molecular Weight | 390.4534 |
| SMILES | COC(C1=CC=C(OC2=C(N)C=C(S(N3CCCCC3)(=O)=O)C=C2)C=C1)=O |
| Synonyms | methyl 4-[2-amino-4-(piperidine-1-sulfonyl)phenoxy]benzoate,
methyl 4-[2-amino-4-(piperidin-1-ylsulfonyl)phenoxy]benzoate,
735322-72-2,
AC1MOF7B,
AC1Q43HA,
MLS001178217,
CHEMBL1534507,
CTK6J0087,
HMS2860G24,
ZINC3886704,
AKOS034466633,
MCULE-7317101903,
NE12904,
SMR000588325,
EN300-06813,
AB00721021-01,
Z56933828,
methyl 4-(2-amino-4-piperidin-1-ylsulfonylphenoxy)benzoate,
ZINC03886704,
CID3368161,
|
| Complexity | 592 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.454g/mol |
| Monoisotopic Mass | 390.125g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number