| CAS Number | 329906-72-1 |
| Catalog Number | AG00I6BV(AGN-PC-0WQYF1) |
| Chemical Name | 4-(5-chlorothiophene-2-sulfonamido)benzoic acid |
| IUPAC Name | 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C11H8ClNO4S2/c12-9-5-6-10(18-9)19(16,17)13-8-3-1-7(2-4-8)11(14)15/h1-6,13H,(H,14,15) |
| InChI Key | WVBRKQMHYJPLHK-UHFFFAOYSA-N |
| MDL Number | MFCD02710167 |
| Molecular Formula | C11H8ClNO4S2 |
| Molecular Weight | 317.7685 |
| SMILES | OC(C1=CC=C(NS(C2SC(Cl)=CC=2)(=O)=O)C=C1)=O |
| Synonyms | 4-(5-chlorothiophene-2-sulfonamido)benzoic acid,
4-(5-Chloro-thiophene-2-sulfonylamino)-benzoic acid,
329906-72-1,
AC1M5BKT,
AC1Q73EJ,
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic Acid,
CTK7I8060,
ZINC3201176,
MFCD02710167,
AKOS000114764,
MCULE-3079041610,
NE61314,
EN300-00455,
Z45512334,
CID2325543,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.758g/mol |
| Monoisotopic Mass | 316.958g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number