| CAS Number | 878218-38-3 |
| Catalog Number | AG00IESI(AGN-PC-0WO1JW) |
| Chemical Name | 4-(Aminosulfonyl)-1-methyl-1h-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-methyl-4-sulfamoylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C6H8N2O4S/c1-8-3-4(13(7,11)12)2-5(8)6(9)10/h2-3H,1H3,(H,9,10)(H2,7,11,12) |
| InChI Key | NIXPJSDXYCVAQD-UHFFFAOYSA-N |
| MDL Number | MFCD08239629 |
| Molecular Formula | C6H8N2O4S |
| Molecular Weight | 204.2037 |
| SMILES | CN1C(C(O)=O)=CC(S(N)(=O)=O)=C1 |
| Synonyms | 1-methyl-4-sulfamoyl-1H-pyrrole-2-carboxylic acid,
878218-38-3,
4-(aminosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid,
AC1PMHMS,
AC1Q3YS2,
SCHEMBL3708197,
CTK7I6918,
ZINC8037239,
MFCD08239629,
AKOS000135837,
MCULE-7219249479,
NE27201,
1-methyl-4-sulfamoylpyrrole-2-carboxylic acid,
EN300-24102,
AB00748104-01,
CID9167375,
1-methyl-4-sulfamoyl-pyrrole-2-carboxylic Acid,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.2g/mol |
| Monoisotopic Mass | 204.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number