| CAS Number | 77266-65-0 |
| Catalog Number | AG00ICT7 |
| Chemical Name | 5-[(Dimethylamino)sulfonyl]-2-piperidin-1-ylbenzoic acid |
| IUPAC Name | 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid |
| InChI | InChI=1S/C14H20N2O4S/c1-15(2)21(19,20)11-6-7-13(12(10-11)14(17)18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18) |
| InChI Key | ATFRGLNGURZGBY-UHFFFAOYSA-N |
| MDL Number | MFCD06655300 |
| Molecular Formula | C14H20N2O4S |
| Molecular Weight | 312.3846 |
| SMILES | OC(=O)c1cc(ccc1N1CCCCC1)S(=O)(=O)N(C)C |
| Synonyms | 5-(dimethylsulfamoyl)-2-(piperidin-1-yl)benzoic acid,
77266-65-0,
5-[(dimethylamino)sulfonyl]-2-piperidin-1-ylbenzoic acid,
SCHEMBL11161191,
CTK7I6843,
ZINC3412902,
AKOS008039503,
MCULE-3056345594,
NE36937,
EN300-12335,
SR-01000064899,
SR-01000064899-1,
Z85931388,
AC1Q3WYU,
AC1M87BR,
CID2531882,
5-(dimethylsulfamoyl)-2-(1-piperidyl)benzoic Acid,
5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid,
|
| Complexity | 466 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.114378g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.39g/mol |
| Monoisotopic Mass | 312.114378g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number