| CAS Number | 771499-99-1 |
| Catalog Number | AG019JUL |
| Chemical Name | 4-[4-(1-hydroxyethyl)benzenesulfonamido]benzoic acid |
| IUPAC Name | 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoic acid |
| InChI | InChI=1S/C15H15NO5S/c1-10(17)11-4-8-14(9-5-11)22(20,21)16-13-6-2-12(3-7-13)15(18)19/h2-10,16-17H,1H3,(H,18,19) |
| InChI Key | UEQADXFKBJNFCS-UHFFFAOYSA-N |
| MDL Number | MFCD06347937 |
| Molecular Formula | C15H15NO5S |
| Molecular Weight | 321.3483 |
| SMILES | CC(C1=CC=C(S(NC2=CC=C(C(O)=O)C=C2)(=O)=O)C=C1)O |
| Synonyms | 4-[4-(1-hydroxyethyl)benzenesulfonamido]benzoic acid,
771499-99-1,
4-({[4-(1-hydroxyethyl)phenyl]sulfonyl}amino)benzoic acid,
AC1MNS76,
AC1Q2BT2,
4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoic Acid,
CTK6A5305,
AKOS034470330,
MCULE-5649377161,
NE19359,
EN300-10462,
SR-01000056401,
SR-01000056401-1,
Z57012222,
4-{[4-(1-hydroxyethyl)benzene]sulfonamido}benzoic acid,
CID3308927,
|
| Complexity | 471 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.347g/mol |
| Monoisotopic Mass | 321.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number