| CAS Number | 79672-26-7 |
| Catalog Number | AG01AM7D |
| Chemical Name | Methyl 2-(dimethylsulfamoyl)benzoate |
| IUPAC Name | methyl 2-(dimethylsulfamoyl)benzoate |
| InChI | InChI=1S/C10H13NO4S/c1-11(2)16(13,14)9-7-5-4-6-8(9)10(12)15-3/h4-7H,1-3H3 |
| InChI Key | KJHNRJLTKYMHHM-UHFFFAOYSA-N |
| MDL Number | MFCD17628768 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | COC(C1=C(S(N(C)C)(=O)=O)C=CC=C1)=O |
| Synonyms | methyl 2-(dimethylsulfamoyl)benzoate,
79672-26-7,
SCHEMBL6627930,
Benzoic acid, 2-[(dimethylamino)sulfonyl]-, methyl ester,
ZINC39331970,
AKOS008680248,
MCULE-4159960893,
Z45527575,
|
| Complexity | 344 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.277g/mol |
| Monoisotopic Mass | 243.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number