| CAS Number | 885269-91-0 |
| Catalog Number | AG00474D(AGN-PC-078J00) |
| Chemical Name | 3-[[(4′-Methoxy[1,1′-biphenyl]-4-yl)sulfonyl]amino]benzoic acid |
| IUPAC Name | 3-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]benzoic acid |
| InChI | InChI=1S/C20H17NO5S/c1-26-18-9-5-14(6-10-18)15-7-11-19(12-8-15)27(24,25)21-17-4-2-3-16(13-17)20(22)23/h2-13,21H,1H3,(H,22,23) |
| InChI Key | ZBKATECYZDJGSI-UHFFFAOYSA-N |
| MDL Number | MFCD06409494 |
| Molecular Formula | C20H17NO5S |
| Molecular Weight | 383.4177 |
| SMILES | COc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)O |
| Synonyms | 885269-91-0,
Benzoicacid, 3-[[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino]-,
CTK3E6230,
DTXSID30660090,
3-((4'-methoxy-[1,1'-biphenyl])-4-sulfonamido)benzoic acid,
ZINC36293986,
AKOS000814147,
MCULE-9764628554,
VU0549381-1,
F9995-0457,
3-(4'-methoxy-[1,1'-biphenyl]-4-ylsulfonamido)benzoic acid,
3-[(4'-Methoxy[1,1'-biphenyl]-4-sulfonyl)amino]benzoic acid,
MFCD06409494,
3-[4-(4-Methoxyphenyl)phenylsulfonamido]benzoic acid,
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| Complexity | 586 |
| 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 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number