| CAS Number | 1001404-12-1 |
| Catalog Number | AG01BFQC |
| Chemical Name | Methyl 3-(sulfamoylmethyl)benzoate |
| IUPAC Name | methyl 3-(sulfamoylmethyl)benzoate |
| InChI | InChI=1S/C9H11NO4S/c1-14-9(11)8-4-2-3-7(5-8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13) |
| InChI Key | SUXIYSWKVWRWJV-UHFFFAOYSA-N |
| MDL Number | MFCD11649752 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | COC(C1=CC(CS(N)(=O)=O)=CC=C1)=O |
| Synonyms | methyl 3-(sulfamoylmethyl)benzoate,
1001404-12-1,
SCHEMBL12459396,
ZINC37465501,
AKOS008636918,
NE46869,
SC-91708,
3-(Sulfamoylmethyl)benzoic acid methyl ester,
Z974988446,
|
| 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 | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number