| CAS Number | 926211-35-0 |
| Catalog Number | AG019W96 |
| Chemical Name | 2-(Propane-1-sulfonamido)benzoic acid |
| IUPAC Name | 2-(propylsulfonylamino)benzoic acid |
| InChI | InChI=1S/C10H13NO4S/c1-2-7-16(14,15)11-9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13) |
| InChI Key | YEXKFOGSUASBRA-UHFFFAOYSA-N |
| MDL Number | MFCD08443564 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CCCS(NC1=C(C(O)=O)C=CC=C1)(=O)=O |
| Synonyms | 2-(propane-1-sulfonamido)benzoic acid,
2-[(Propylsulfonyl)amino]benzoic Acid,
926211-35-0,
4kz4,
AC1Q2YJG,
SCHEMBL1492018,
CTK6E6516,
2-(propylsulfonamido)benzoic acid,
ZINC11736413,
AKOS000126963,
MCULE-8761835502,
NE40217,
EN300-51096,
Z53825032,
4A1,
Benzoic acid, 2-[(propylsulfonyl)amino],
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.277g/mol |
| Monoisotopic Mass | 243.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number