| CAS Number | 326916-74-9 |
| Catalog Number | AG019GIU |
| Chemical Name | 4-(4-Ethoxybenzenesulfonamido)benzoic acid |
| IUPAC Name | 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C15H15NO5S/c1-2-21-13-7-9-14(10-8-13)22(19,20)16-12-5-3-11(4-6-12)15(17)18/h3-10,16H,2H2,1H3,(H,17,18) |
| InChI Key | DDTDMZUNVKCGKK-UHFFFAOYSA-N |
| MDL Number | MFCD02704402 |
| Molecular Formula | C15H15NO5S |
| Molecular Weight | 321.3483 |
| SMILES | CCOC1=CC=C(S(NC2=CC=C(C(O)=O)C=C2)(=O)=O)C=C1 |
| Synonyms | 4-(4-ethoxybenzenesulfonamido)benzoic acid,
4-(4-Ethoxy-benzenesulfonylamino)-benzoic acid,
326916-74-9,
4-{[(4-ethoxyphenyl)sulfonyl]amino}benzoic acid,
AC1MYTLX,
4-[(4-ethoxyphenyl)sulfonylamino]benzoic Acid,
Oprea1_164562,
Oprea1_260239,
AC1Q37G0,
CTK6G2338,
ZINC3884716,
SBB082045,
STK238446,
AKOS000114667,
MCULE-9343611347,
NE18831,
EN300-00313,
SR-01000028497,
SR-01000028497-1,
Z45512293,
CID3862080,
|
| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.347g/mol |
| Monoisotopic Mass | 321.067g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number