| CAS Number | 885269-42-1 |
| Catalog Number | AG00IF4X(AGN-PC-0WBQBU) |
| Chemical Name | 4-((4'-Methoxy-[1,1'-biphenyl])-4-sulfonamido)benzoic acid |
| IUPAC Name | 4-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]benzoic acid |
| InChI | InChI=1S/C20H17NO5S/c1-26-18-10-4-14(5-11-18)15-6-12-19(13-7-15)27(24,25)21-17-8-2-16(3-9-17)20(22)23/h2-13,21H,1H3,(H,22,23) |
| InChI Key | ZFNQOUZSNZLJLR-UHFFFAOYSA-N |
| MDL Number | MFCD06409458 |
| Molecular Formula | C20H17NO5S |
| Molecular Weight | 383.4177 |
| SMILES | COc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O |
| Synonyms | 885269-42-1,
MFCD06409458,
4-((4'-methoxy-[1,1'-biphenyl])-4-sulfonamido)benzoic acid,
4-(4'-Methoxy-4-biphenylylsulfonylamino)benzoic acid,
SCHEMBL13028454,
ZINC36293922,
AKOS000813673,
MCULE-1825313488,
VU0549402-1,
F9995-0687,
4-(4'-methoxy-[1,1'-biphenyl]-4-ylsulfonamido)benzoic acid,
|
| Complexity | 578 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.418g/mol |
| Monoisotopic Mass | 383.083g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number