| CAS Number | 75903-51-4 |
| Catalog Number | AG01ACZX(AGN-PC-0WO918) |
| Chemical Name | Methyl 2-sulfamoylpyridine-4-carboxylate |
| IUPAC Name | methyl 2-sulfamoylpyridine-4-carboxylate |
| InChI | InChI=1S/C7H8N2O4S/c1-13-7(10)5-2-3-9-6(4-5)14(8,11)12/h2-4H,1H3,(H2,8,11,12) |
| InChI Key | YTHOVWCRGMPADR-UHFFFAOYSA-N |
| MDL Number | MFCD25966976 |
| Molecular Formula | C7H8N2O4S |
| Molecular Weight | 216.2144 |
| SMILES | COC(C1=CC(S(N)(=O)=O)=NC=C1)=O |
| Synonyms | methyl 2-sulfamoylisonicotinate,
75903-51-4,
methyl 2-sulfamoylpyridine-4-carboxylate,
SCHEMBL18007585,
ZINC95883650,
AKOS026729003,
MCULE-4279753740,
NE47313,
Z1723849165,
2-Sulfamoyl-isonicotinic acid methyl ester,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.211g/mol |
| Monoisotopic Mass | 216.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number