| CAS Number | 1000931-97-4 |
| Catalog Number | AG019L84(AGN-PC-0WO0MR) |
| Chemical Name | 1-methyl-4-sulfamoyl-1H-pyrrole-2-carboxamide |
| IUPAC Name | 1-methyl-4-sulfamoylpyrrole-2-carboxamide |
| InChI | InChI=1S/C6H9N3O3S/c1-9-3-4(13(8,11)12)2-5(9)6(7)10/h2-3H,1H3,(H2,7,10)(H2,8,11,12) |
| InChI Key | FPFGZTIXKKCTRV-UHFFFAOYSA-N |
| MDL Number | MFCD09863334 |
| Molecular Formula | C6H9N3O3S |
| Molecular Weight | 203.2190 |
| SMILES | CN1C(C(N)=O)=CC(S(N)(=O)=O)=C1 |
| Synonyms | 1-methyl-4-sulfamoyl-1H-pyrrole-2-carboxamide,
1000931-97-4,
4-(aminosulfonyl)-1-methyl-1H-pyrrole-2-carboxamide,
EN300-30408,
AC1Q3YRS,
CTK7D2610,
ZINC20281262,
AKOS009092108,
FCH5140227,
MCULE-1063097386,
NE26902,
BBV-38781018,
AB00802773-01,
Z194976428,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.216g/mol |
| Monoisotopic Mass | 203.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number