| CAS Number | 436089-84-8 |
| Catalog Number | AG01AQ67(AGN-PC-0WCNIS) |
| Chemical Name | 4-(cyclopentylsulfamoyl)benzoic acid |
| IUPAC Name | 4-(cyclopentylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C12H15NO4S/c14-12(15)9-5-7-11(8-6-9)18(16,17)13-10-3-1-2-4-10/h5-8,10,13H,1-4H2,(H,14,15) |
| InChI Key | GSMNEBXKOSVTLB-UHFFFAOYSA-N |
| MDL Number | MFCD02743907 |
| Molecular Formula | C12H15NO4S |
| Molecular Weight | 269.3168 |
| SMILES | OC(C1=CC=C(S(NC2CCCC2)(=O)=O)C=C1)=O |
| Synonyms | 4-[(cyclopentylamino)sulfonyl]benzoic acid,
4-(cyclopentylsulfamoyl)benzoic Acid,
436089-84-8,
AC1LHILG,
Oprea1_175588,
SCHEMBL16197406,
CTK7I8131,
ZINC6010545,
AKOS000165611,
MCULE-7737747506,
ST50760923,
L-2528,
F1981-0078,
CID863785,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.315g/mol |
| Monoisotopic Mass | 269.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number