| CAS Number | 1153392-91-6 |
| Catalog Number | AG00J0NH(AGN-PC-0WAYQL) |
| Chemical Name | 3-(4-methoxybenzenesulfonamido)thiophene-2-carboxylic acid |
| IUPAC Name | 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H11NO5S2/c1-18-8-2-4-9(5-3-8)20(16,17)13-10-6-7-19-11(10)12(14)15/h2-7,13H,1H3,(H,14,15) |
| InChI Key | JHSCKMNGJRJPKY-UHFFFAOYSA-N |
| MDL Number | MFCD13696908 |
| Molecular Formula | C12H11NO5S2 |
| Molecular Weight | 313.3494 |
| SMILES | S(=O)(=O)(NC1(=C(SC=C1)C(=O)O))C2(=CC=C(OC)C=C2) |
| Synonyms | 3-(4-methoxybenzenesulfonamido)thiophene-2-carboxylic acid,
1153392-91-6,
3-{[(4-methoxyphenyl)sulfonyl]amino}thiophene-2-carboxylic acid,
SCHEMBL7530793,
KS-00001PXV,
BBL003124,
HTS003667,
MFCD13696908,
STL112431,
ZINC35306506,
AKOS005739241,
BS-3695,
MCULE-4252764643,
H6380,
C12H11NO5S2,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.342g/mol |
| Monoisotopic Mass | 313.008g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number