3-[(Ethylamino)sulfonyl]benzoic Acid - CAS 7326-74-1
Catalog: |
BB034809 |
Product Name: |
3-[(Ethylamino)sulfonyl]benzoic Acid |
CAS: |
7326-74-1 |
Synonyms: |
3-(ethylsulfamoyl)benzoic acid; 3-(ethylsulfamoyl)benzoic acid |
IUPAC Name: | 3-(ethylsulfamoyl)benzoic acid |
Description: | 3-[(Ethylamino)sulfonyl]benzoic Acid (CAS# 7326-74-1) is a useful research chemical. |
Molecular Weight: | 229.25 |
Molecular Formula: | C9H11NO4S |
Canonical SMILES: | CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C9H11NO4S/c1-2-10-15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12) |
InChI Key: | GLQZYZFUALLUSS-UHFFFAOYSA-N |
MDL: | MFCD06353541 |
LogP: | 2.15470 |
Publication Number | Title | Priority Date |
WO-2016001452-A1 | Compounds, in particular for use in the treatment of a disease or condition for which a bromodomain inhibitor is indicated | 20140704 |
US-2013035364-A1 | Benzylidene-indolinone compounds and their medical use | 20110804 |
US-8877946-B2 | Benzylidene-indolinone compounds and their medical use | 20110804 |
EP-1432700-B1 | Spiro-hydantoin compounds useful as anti-inflammatory agents | 20011001 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.04087901 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.04087901 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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