| CAS Number | 735305-59-6 |
| Catalog Number | AG00ICEO(AGN-PC-0KGTR4) |
| Chemical Name | 3-(Cyclopentylsulfamoyl)-4-methoxybenzoic acid |
| IUPAC Name | 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid |
| InChI | InChI=1S/C13H17NO5S/c1-19-11-7-6-9(13(15)16)8-12(11)20(17,18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16) |
| InChI Key | GWUPJNYEWONPJV-UHFFFAOYSA-N |
| MDL Number | MFCD04614079 |
| Molecular Formula | C13H17NO5S |
| Molecular Weight | 299.3428 |
| SMILES | COC1=C(S(NC2CCCC2)(=O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid,
3-[(cyclopentylamino)sulfonyl]-4-methoxybenzoic acid,
735305-59-6,
AC1M7FMG,
AC1Q4CBN,
CTK7A7521,
ZINC3349527,
MFCD04614079,
AKOS000117092,
MCULE-6716904815,
NE21436,
FT-0725886,
EN300-06881,
SR-01000045500,
SR-01000045500-1,
Z53039850,
CID2466556,
3-(cyclopentylsulfamoyl)-4-methoxy-benzoic Acid,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.341g/mol |
| Monoisotopic Mass | 299.083g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number