| CAS Number | 65625-49-2 |
| Catalog Number | AG00FJFM(AGN-PC-0NK5K1) |
| Chemical Name | 3,5-dimethylbenzene-1-sulfonamide |
| IUPAC Name | 3,5-dimethylbenzenesulfonamide |
| InChI | InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11) |
| InChI Key | BRPHYVPAIXLWED-UHFFFAOYSA-N |
| MDL Number | MFCD11650011 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CC1=CC(S(N)(=O)=O)=CC(C)=C1 |
| Synonyms | 3,5-Dimethylbenzenesulfonamide,
65625-49-2,
3,5-Dimethylbenzene-1-sulfonamide,
Benzenesulfonamide, 3,5-dimethyl- (9CI),
SCHEMBL2005577,
CTK5C2933,
DTXSID60509089,
ZINC37466972,
AKOS008938681,
BENZENESULFONAMIDE, 3,5-DIMETHYL-,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number