| CAS Number | 22821-83-6 |
| Catalog Number | AG01AD4K(AGN-PC-00NEST) |
| Chemical Name | 3-methanesulfonylbenzene-1-sulfonamide |
| IUPAC Name | 3-methylsulfonylbenzenesulfonamide |
| InChI | InChI=1S/C7H9NO4S2/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12/h2-5H,1H3,(H2,8,11,12) |
| InChI Key | YUFIQCIEPNCJQE-UHFFFAOYSA-N |
| MDL Number | MFCD11205186 |
| Molecular Formula | C7H9NO4S2 |
| Molecular Weight | 235.2807 |
| SMILES | CS(C1=CC(S(N)(=O)=O)=CC=C1)(=O)=O |
| Synonyms | 3-methanesulfonylbenzene-1-sulfonamide,
22821-83-6,
3-Methansulfonyl-benzolsulfonsaeureamid,
SCHEMBL4573879,
YUFIQCIEPNCJQE-UHFFFAOYSA-N,
3-Methylsulfonyl-benzenesulfonamide,
3-methylsulphonylbenzenesulphonamide,
3-Methanesulfonyl-benzenesulfonamide,
ZINC34120371,
AKOS008106915,
MCULE-3816296790,
NE19042,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.9973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.3g/mol |
| Monoisotopic Mass | 234.9973g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 111Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number