| CAS Number | 784172-04-9 |
| Catalog Number | AG019JW8 |
| Chemical Name | 5-[(2-Methoxyethyl)sulfamoyl]-2-methylbenzoic acid |
| IUPAC Name | 5-(2-methoxyethylsulfamoyl)-2-methylbenzoic acid |
| InChI | InChI=1S/C11H15NO5S/c1-8-3-4-9(7-10(8)11(13)14)18(15,16)12-5-6-17-2/h3-4,7,12H,5-6H2,1-2H3,(H,13,14) |
| InChI Key | UYUYYHVCJNFKSN-UHFFFAOYSA-N |
| MDL Number | MFCD06349005 |
| Molecular Formula | C11H15NO5S |
| Molecular Weight | 273.3055 |
| SMILES | COCCNS(C1=CC(C(O)=O)=C(C)C=C1)(=O)=O |
| Synonyms | 5-[(2-methoxyethyl)sulfamoyl]-2-methylbenzoic acid,
784172-04-9,
5-{[(2-methoxyethyl)amino]sulfonyl}-2-methylbenzoic acid,
AC1M2MJ5,
AC1Q4G6K,
CTK7B3610,
ZINC2656179,
AKOS008023676,
MCULE-3363829535,
NE25230,
EN300-10569,
5-(2-methoxyethylsulfamoyl)-2-methylbenzoic acid,
CID2119876,
5-(2-methoxyethylsulfamoyl)-2-methyl-benzoic Acid,
5-([(2-methoxyethyl)amino]sulfonyl)-2-methylbenzoic acid,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.303g/mol |
| Monoisotopic Mass | 273.067g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number