| CAS Number | 926199-08-8 |
| Catalog Number | AG019OYR |
| Chemical Name | 5-(Cyclopropylsulfamoyl)-2-methylbenzoic acid |
| IUPAC Name | 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid |
| InChI | InChI=1S/C11H13NO4S/c1-7-2-5-9(6-10(7)11(13)14)17(15,16)12-8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,13,14) |
| InChI Key | JUPSKNUFMZEKFU-UHFFFAOYSA-N |
| MDL Number | MFCD09042131 |
| Molecular Formula | C11H13NO4S |
| Molecular Weight | 255.2902 |
| SMILES | CC1=C(C(O)=O)C=C(S(NC2CC2)(=O)=O)C=C1 |
| Synonyms | 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid,
926199-08-8,
5-[(cyclopropylamino)sulfonyl]-2-methylbenzoic acid,
AC1Q2EE4,
CTK7I6763,
ZINC12504802,
AKOS000123927,
MCULE-5438733637,
NE34418,
EN300-16253,
Benzoic acid, 5-[(cyclopropylamino)sulfonyl]-2-methyl,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.288g/mol |
| Monoisotopic Mass | 255.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number