| CAS Number | 893761-09-6 |
| Catalog Number | AG019LIH |
| Chemical Name | 3-(Cyclopentylsulfamoyl)benzoic acid |
| IUPAC Name | 3-(cyclopentylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C12H15NO4S/c14-12(15)9-4-3-7-11(8-9)18(16,17)13-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6H2,(H,14,15) |
| InChI Key | ZUBQTNFHDPACBZ-UHFFFAOYSA-N |
| MDL Number | MFCD08337765 |
| Molecular Formula | C12H15NO4S |
| Molecular Weight | 269.3168 |
| SMILES | OC(C1=CC(S(NC2CCCC2)(=O)=O)=CC=C1)=O |
| Synonyms | 3-(cyclopentylsulfamoyl)benzoic acid,
3-[(cyclopentylamino)sulfonyl]benzoic acid,
893761-09-6,
AC1Q72U7,
SCHEMBL15575103,
CTK7I8773,
ZUBQTNFHDPACBZ-UHFFFAOYSA-N,
ZINC12896119,
AKOS000129709,
3-(N-cyclopentylsulfamoyl)benzoic acid,
MCULE-9865164970,
NE32408,
EN300-31352,
|
| Complexity | 395 |
| 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