| CAS Number | 744204-12-4 |
| Catalog Number | AG019JG4 |
| Chemical Name | 3-({[1,1'-biphenyl]-2-yl}sulfamoyl)benzoic acid |
| IUPAC Name | 3-[(2-phenylphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C19H15NO4S/c21-19(22)15-9-6-10-16(13-15)25(23,24)20-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,20H,(H,21,22) |
| InChI Key | LVDGNNPNKCSKFC-UHFFFAOYSA-N |
| MDL Number | MFCD05265138 |
| Molecular Formula | C19H15NO4S |
| Molecular Weight | 353.3917 |
| SMILES | OC(C1=CC(S(NC2=C(C3=CC=CC=C3)C=CC=C2)(=O)=O)=CC=C1)=O |
| Synonyms | 3-[(2-phenylphenyl)sulfamoyl]benzoic Acid,
3-[(1,1'-biphenyl-2-ylamino)sulfonyl]benzoic acid,
744204-12-4,
AC1M1GBZ,
MLS000761507,
AC1Q73J6,
CHEMBL1472339,
CTK7I8776,
HMS2681A23,
ZINC2633039,
AKOS000117693,
NE38270,
SMR000371607,
EN300-09354,
CID2095484,
|
| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.392g/mol |
| Monoisotopic Mass | 353.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number