| CAS Number | 944894-10-4 |
| Catalog Number | AG01A8X7 |
| Chemical Name | 3-[(pyridin-3-yl)sulfamoyl]thiophene-2-carboxylic acid |
| IUPAC Name | 3-(pyridin-3-ylsulfamoyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C10H8N2O4S2/c13-10(14)9-8(3-5-17-9)18(15,16)12-7-2-1-4-11-6-7/h1-6,12H,(H,13,14) |
| InChI Key | NIJJRHOHZTTZPY-UHFFFAOYSA-N |
| MDL Number | MFCD09455227 |
| Molecular Formula | C10H8N2O4S2 |
| Molecular Weight | 284.3115 |
| SMILES | OC(C1=C(S(NC2=CN=CC=C2)(=O)=O)C=CS1)=O |
| Synonyms | 3-[(pyridin-3-yl)sulfamoyl]thiophene-2-carboxylic acid,
944894-10-4,
AC1Q7261,
ZINC90225602,
AKOS004122066,
MCULE-5695434267,
NE38417,
NCGC00189430-01,
EN300-62818,
Z227840704,
3-[(pyridin-3-ylamino)sulfonyl]thiophene-2-carboxylic acid,
2-Thiophenecarboxylic acid, 3-[(3-pyridinylamino)sulfonyl],
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.304g/mol |
| Monoisotopic Mass | 283.993g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number