| CAS Number | 1016679-17-6 |
| Catalog Number | AG01C1RN |
| Chemical Name | 4-(propane-1-sulfonamido)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(propylsulfonylamino)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H12ClNO4S2/c1-2-7-16(12,13)11-8-3-5-9(6-4-8)17(10,14)15/h3-6,11H,2,7H2,1H3 |
| InChI Key | PQQNJEQXJQSNQD-UHFFFAOYSA-N |
| MDL Number | MFCD09816912 |
| Molecular Formula | C9H12ClNO4S2 |
| Molecular Weight | 297.7789 |
| SMILES | CCCS(NC1=CC=C(S(Cl)(=O)=O)C=C1)(=O)=O |
| Synonyms | 4-(PROPANE-1-SULFONAMIDO)BENZENE-1-SULFONYL CHLORIDE,
1016679-17-6,
CTK6E6498,
ZINC59108352,
AKOS000156278,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.768g/mol |
| Monoisotopic Mass | 296.99g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number