| CAS Number | 885269-48-7 |
| Catalog Number | AG00IF51(AGN-PC-0WBQB6) |
| Chemical Name | 1-((4'-Methoxy-[1,1'-biphenyl])-4-sulfonamido)cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C20H23NO5S/c1-26-17-9-5-15(6-10-17)16-7-11-18(12-8-16)27(24,25)21-20(19(22)23)13-3-2-4-14-20/h5-12,21H,2-4,13-14H2,1H3,(H,22,23) |
| InChI Key | JAKSOMBIPMPTDM-UHFFFAOYSA-N |
| MDL Number | MFCD06409463 |
| Molecular Formula | C20H23NO5S |
| Molecular Weight | 389.4653 |
| SMILES | COc1ccc(cc1)c1ccc(cc1)S(=O)(=O)NC1(CCCCC1)C(=O)O |
| Synonyms | 885269-48-7,
MFCD06409463,
1-((4'-methoxy-[1,1'-biphenyl])-4-sulfonamido)cyclohexane-1-carboxylic acid,
1-(4'-METHOXY-4-BIPHENYLYLSULFONYLAMINO)CYCLOHEXANECARBOXYLIC ACID,
DTXSID40660086,
ZINC36293932,
AKOS000813695,
MCULE-1178130279,
VU0549376-1,
F9995-0439,
1-(4'-methoxy-[1,1'-biphenyl]-4-ylsulfonamido)cyclohexanecarboxylic acid,
1-[(4'-Methoxy[1,1'-biphenyl]-4-sulfonyl)amino]cyclohexane-1-carboxylic acid,
|
| Complexity | 592 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.466g/mol |
| Monoisotopic Mass | 389.13g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number