| CAS Number | 72007-45-5 |
| Catalog Number | AG01C4HG(AGN-PC-0OH27N) |
| Chemical Name | 2,2-Dioxo-1,3-dihydro-2lambda6-benzothiophene-5-sulfonamide |
| IUPAC Name | 2,2-dioxo-1,3-dihydro-2-benzothiophene-5-sulfonamide |
| InChI | InChI=1S/C8H9NO4S2/c9-15(12,13)8-2-1-6-4-14(10,11)5-7(6)3-8/h1-3H,4-5H2,(H2,9,12,13) |
| InChI Key | OKBHEHXZRRRBMC-UHFFFAOYSA-N |
| MDL Number | MFCD30180374 |
| Molecular Formula | C8H9NO4S2 |
| Molecular Weight | 247.2914 |
| SMILES | NS(C1=CC2=C(CS(C2)(=O)=O)C=C1)(=O)=O |
| Synonyms | 2,2-dioxo-1,3-dihydro-2lambda6-benzothiophene-5-sulfonamide,
72007-45-5,
AKOS033923536,
ZINC196270000,
Z2475165806,
2,2-dioxo-1,3-dihydro-2lambda-benzothiophene-5-sulfonamide,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.283g/mol |
| Monoisotopic Mass | 246.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number