| CAS Number | 885269-44-3 |
| Catalog Number | AG00IF4Z(AGN-PC-0WBQBV) |
| Chemical Name | 4-[[[(4′-Methoxy[1,1′-biphenyl]-4-yl)sulfonyl]amino]methyl]benzoic acid |
| IUPAC Name | 4-[[[4-(4-methoxyphenyl)phenyl]sulfonylamino]methyl]benzoic acid |
| InChI | InChI=1S/C21H19NO5S/c1-27-19-10-6-16(7-11-19)17-8-12-20(13-9-17)28(25,26)22-14-15-2-4-18(5-3-15)21(23)24/h2-13,22H,14H2,1H3,(H,23,24) |
| InChI Key | QVOYNMQWWYYZBY-UHFFFAOYSA-N |
| MDL Number | MFCD06409459 |
| Molecular Formula | C21H19NO5S |
| Molecular Weight | 397.4443 |
| SMILES | COc1ccc(cc1)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)O |
| Synonyms | 885269-44-3,
MFCD06409459,
4-(((4'-methoxy-[1,1'-biphenyl])-4-sulfonamido)methyl)benzoic acid,
4-(4'-METHOXY-4-BIPHENYLYLSULFONYLAMINOMETHYL)BENZOIC ACID,
DTXSID80660085,
ZINC36293924,
AKOS000813681,
MCULE-8510530937,
VU0549403-1,
F9995-0688,
4-((4'-methoxy-[1,1'-biphenyl]-4-ylsulfonamido)methyl)benzoic acid,
4-{[(4'-Methoxy[1,1'-biphenyl]-4-sulfonyl)amino]methyl}benzoic acid,
|
| Complexity | 593 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.445g/mol |
| Monoisotopic Mass | 397.098g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number