4-Chloro-2-(methylsulfonamido)benzoic Acid - CAS 158579-89-6
Catalog: |
BB011433 |
Product Name: |
4-Chloro-2-(methylsulfonamido)benzoic Acid |
CAS: |
158579-89-6 |
Synonyms: |
4-chloro-2-(methanesulfonamido)benzoic acid; 4-chloro-2-(methanesulfonamido)benzoic acid |
IUPAC Name: | 4-chloro-2-(methanesulfonamido)benzoic acid |
Description: | 4-Chloro-2-(methylsulfonamido)benzoic Acid (CAS# 158579-89-6 ) is a useful research chemical. |
Molecular Weight: | 249.67 |
Molecular Formula: | C8H8ClNO4S |
Canonical SMILES: | CS(=O)(=O)NC1=C(C=CC(=C1)Cl)C(=O)O |
InChI: | InChI=1S/C8H8ClNO4S/c1-15(13,14)10-7-4-5(9)2-3-6(7)8(11)12/h2-4,10H,1H3,(H,11,12) |
InChI Key: | PQJAXHDWTAAULN-UHFFFAOYSA-N |
LogP: | 2.83570 |
Publication Number | Title | Priority Date |
US-2012232052-A1 | Aryl carboxamide derivatives as ttx-s blockers | 20091116 |
US-9051296-B2 | Aryl carboxamide derivatives as TTX-S blockers | 20091116 |
US-2012083471-A1 | Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same | 20080707 |
US-7547335-B2 | Metal polishing composition and method of polishing using the same | 20041126 |
US-2007287362-A1 | Polishing composition and method of polishing with the same | 20040929 |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.9862566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.9862566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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