| CAS Number | 436095-79-3 |
| Catalog Number | AG019YRE |
| Chemical Name | 3-(Cyclopentylsulfamoyl)-4-methylbenzoic acid |
| IUPAC Name | 3-(cyclopentylsulfamoyl)-4-methylbenzoic acid |
| InChI | InChI=1S/C13H17NO4S/c1-9-6-7-10(13(15)16)8-12(9)19(17,18)14-11-4-2-3-5-11/h6-8,11,14H,2-5H2,1H3,(H,15,16) |
| InChI Key | QHWAFWGVWZNRSU-UHFFFAOYSA-N |
| MDL Number | MFCD04035411 |
| Molecular Formula | C13H17NO4S |
| Molecular Weight | 283.3434 |
| SMILES | CC1=C(S(NC2CCCC2)(=O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 3-(cyclopentylsulfamoyl)-4-methylbenzoic acid,
436095-79-3,
AC1LMMO8,
SCHEMBL19667044,
ZINC873689,
AKOS006031811,
MCULE-7017838868,
NE38723,
Z133626472,
CID1132855,
3-cyclopentylsulfamoyl-4-methyl-benzoic acid,
3-(cyclopentylsulfamoyl)-4-methyl-benzoic Acid,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.342g/mol |
| Monoisotopic Mass | 283.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number