3-[(Isopropylamino)sulfonyl]benzoic Acid - CAS 716358-46-2
Catalog: |
BB034435 |
Product Name: |
3-[(Isopropylamino)sulfonyl]benzoic Acid |
CAS: |
716358-46-2 |
Synonyms: |
3-(propan-2-ylsulfamoyl)benzoic acid; 3-(propan-2-ylsulfamoyl)benzoic acid |
IUPAC Name: | 3-(propan-2-ylsulfamoyl)benzoic acid |
Description: | 3-[(Isopropylamino)sulfonyl]benzoic Acid (CAS# 716358-46-2) is a useful research chemical. |
Molecular Weight: | 243.28 |
Molecular Formula: | C10H13NO4S |
Canonical SMILES: | CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C10H13NO4S/c1-7(2)11-16(14,15)9-5-3-4-8(6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13) |
InChI Key: | KYDKEDOKJHAVBZ-UHFFFAOYSA-N |
MDL: | MFCD05270857 |
LogP: | 2.54320 |
Publication Number | Title | Priority Date |
AU-2013307331-A1 | Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of Hepatitis B | 20120828 |
AU-2013307337-A1 | Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of Hepatitis B | 20120828 |
AU-2013307337-B2 | Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of Hepatitis B | 20120828 |
AU-2018204597-A1 | Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of Hepatitis B | 20120828 |
AU-2018204597-B2 | Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of Hepatitis B | 20120828 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.05652907 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.05652907 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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