| CAS Number | 926221-69-4 |
| Catalog Number | AG019WIM |
| Chemical Name | 2-[4-(N-methyl-3,4-dimethylbenzenesulfonamido)phenoxy]propanoic acid |
| IUPAC Name | 2-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]propanoic acid |
| InChI | InChI=1S/C18H21NO5S/c1-12-5-10-17(11-13(12)2)25(22,23)19(4)15-6-8-16(9-7-15)24-14(3)18(20)21/h5-11,14H,1-4H3,(H,20,21) |
| InChI Key | FEZKJLVVIYKZOW-UHFFFAOYSA-N |
| MDL Number | MFCD09047551 |
| Molecular Formula | C18H21NO5S |
| Molecular Weight | 363.428 |
| SMILES | CC(C(O)=O)OC1=CC=C(N(S(C2=CC(C)=C(C)C=C2)(=O)=O)C)C=C1 |
| Synonyms | 2-[4-(N-methyl3,4-dimethylbenzenesulfonamido)phenoxy]propanoic acid,
926221-69-4,
2-{4-[(3,4-dimethylbenzene)(methyl)sulfonamido]phenoxy}propanoic acid,
AC1Q2C03,
CTK7I5112,
AKOS000131567,
AKOS016902368,
MCULE-2648086881,
NE36472,
EN300-52098,
2-{4-[[(3,4-DIMETHYLPHENYL)SULFONYL](METHYL)AMINO]PHENOXY}PROPANOIC ACID,
|
| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.428g/mol |
| Monoisotopic Mass | 363.114g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number