| CAS Number | 885268-82-6 |
| Catalog Number | AG00H1Q2(AGN-PC-0WBQBC) |
| Chemical Name | 1-[4-(2-chlorophenoxy)benzenesulfonamido]cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C19H20ClNO5S/c20-16-6-2-3-7-17(16)26-14-8-10-15(11-9-14)27(24,25)21-19(18(22)23)12-4-1-5-13-19/h2-3,6-11,21H,1,4-5,12-13H2,(H,22,23) |
| InChI Key | ZBWZAQPUUFCPLM-UHFFFAOYSA-N |
| MDL Number | MFCD06409356 |
| Molecular Formula | C19H20ClNO5S |
| Molecular Weight | 409.8838 |
| SMILES | OC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 |
| Synonyms | 885268-82-6,
1-((4-(2-chlorophenoxy)phenyl)sulfonamido)cyclohexane-1-carboxylic acid,
1-[4-(2-chlorophenoxy)phenylsulfonylamino]cyclohexanecarboxylic acid,
MFCD06409356,
ZINC36293782,
AKOS000813700,
MCULE-1416288490,
F9995-0602,
1-(4-(2-chlorophenoxy)phenylsulfonamido)cyclohexanecarboxylic acid,
|
| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.881g/mol |
| Monoisotopic Mass | 409.075g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number