| CAS Number | 62547-11-9 |
| Catalog Number | AG00ECOI(AGN-PC-0KBXFZ) |
| Chemical Name | 5-(N-(4-Chlorophenyl)sulfamoyl)-2-hydroxybenzoic acid |
| IUPAC Name | 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoic acid |
| InChI | InChI=1S/C13H10ClNO5S/c14-8-1-3-9(4-2-8)15-21(19,20)10-5-6-12(16)11(7-10)13(17)18/h1-7,15-16H,(H,17,18) |
| InChI Key | JSSWUGKMGVSLDV-UHFFFAOYSA-N |
| MDL Number | MFCD02699974 |
| Molecular Formula | C13H10ClNO5S |
| Molecular Weight | 327.7402 |
| SMILES | O=C(O)C1=CC(S(=O)(NC2=CC=C(Cl)C=C2)=O)=CC=C1O |
| Synonyms | 62547-11-9,
5-(4-Chloro-phenylsulfamoyl)-2-hydroxy-benzoic acid,
5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoic acid,
5-(N-(4-Chlorophenyl)sulfamoyl)-2-hydroxybenzoic acid,
AC1Q72HY,
Oprea1_258207,
Oprea1_718200,
AC1M11A3,
CTK5B5286,
ZINC2624943,
AKOS000114721,
NE17995,
EN300-00353,
J-516240,
5-(4-CHLORO-PHENYLSULFAMOYL)-2-HYDROXY-BENZOICACID,
5- -2-HYDROXY-BENZOICACID,
CID2087048,
5-[(4-chlorophenyl)sulfamoyl]-2-hydroxy-benzoic Acid,
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| Complexity | 469 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.735g/mol |
| Monoisotopic Mass | 326.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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