| CAS Number | 53957-53-2 |
| Catalog Number | AG01AACT |
| Chemical Name | 4-(propane-1-sulfonamido)benzoic acid |
| IUPAC Name | 4-(propylsulfonylamino)benzoic acid |
| InChI | InChI=1S/C10H13NO4S/c1-2-7-16(14,15)11-9-5-3-8(4-6-9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13) |
| InChI Key | OUGORDGQIQRLMG-UHFFFAOYSA-N |
| MDL Number | MFCD08444805 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CCCS(NC1=CC=C(C(O)=O)C=C1)(=O)=O |
| Synonyms | 4-(propane-1-sulfonamido)benzoic acid,
53957-53-2,
4-[(PROPYLSULFONYL)AMINO]BENZOIC ACID,
AC1Q2YJK,
SCHEMBL9489980,
CTK6E6493,
4-(propylsulfonamido)benzoic acid,
OUGORDGQIQRLMG-UHFFFAOYSA-N,
ZINC11736411,
AKOS000128106,
MCULE-2624304442,
NE17703,
4-[(1-Propylsulfonyl)amino]benzoic acid,
EN300-68224,
Z45636710,
4-(propane-1-sulfonylamino)-benzoic acid,
|
| Complexity | 325 |
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number