| CAS Number | 145889-95-8 |
| Catalog Number | AG01B1FZ(AGN-PC-06IYWH) |
| Chemical Name | Methyl 2-(methylsulfamoyl)benzoate |
| IUPAC Name | methyl 2-(methylsulfamoyl)benzoate |
| InChI | InChI=1S/C9H11NO4S/c1-10-15(12,13)8-6-4-3-5-7(8)9(11)14-2/h3-6,10H,1-2H3 |
| InChI Key | NHEROJRIOMGQCA-UHFFFAOYSA-N |
| MDL Number | MFCD11646542 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | CNS(C1=C(C(OC)=O)C=CC=C1)(=O)=O |
| Synonyms | methyl 2-(methylsulfamoyl)benzoate,
145889-95-8,
ZINC37405926,
AKOS008940333,
NE53971,
2-(Methylsulfamoyl)benzoic acid methyl ester,
methyl 2-(N-methylsulfamoyl)benzoate,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.25g/mol |
| Monoisotopic Mass | 229.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number