Ethyl 2-[4-(Methylsulfonamido)phenyl]acetate - CAS 58827-89-7
Catalog: |
BB030172 |
Product Name: |
Ethyl 2-[4-(Methylsulfonamido)phenyl]acetate |
CAS: |
58827-89-7 |
Synonyms: |
2-[4-(methanesulfonamido)phenyl]acetic acid ethyl ester; ethyl 2-[4-(methanesulfonamido)phenyl]acetate |
IUPAC Name: | ethyl 2-[4-(methanesulfonamido)phenyl]acetate |
Description: | Ethyl 2-[4-(Methylsulfonamido)phenyl]acetate (CAS# 58827-89-7 ) is a useful research chemical. |
Molecular Weight: | 257.31 |
Molecular Formula: | C11H15NO4S |
Canonical SMILES: | CCOC(=O)CC1=CC=C(C=C1)NS(=O)(=O)C |
InChI: | InChI=1S/C11H15NO4S/c1-3-16-11(13)8-9-4-6-10(7-5-9)12-17(2,14)15/h4-7,12H,3,8H2,1-2H3 |
InChI Key: | GRAKPWQWJZKXEH-UHFFFAOYSA-N |
LogP: | 2.31750 |
Publication Number | Title | Priority Date |
AU-2013347771-A1 | Compounds and their methods of use | 20121122 |
AU-2013347771-B2 | Compounds and their methods of use | 20121122 |
AU-2018202954-A1 | Compounds and their methods of use | 20121122 |
CA-2893510-A1 | Compounds and their methods of use | 20121122 |
DK-2922850-T3 | Compounds and Methods for Their Use | 20121122 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.07217913 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.07217913 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 80.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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