2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid

C17H16ClFO5S — CID 58516130

IUPAC2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid
SMILESCCS(=O)(=O)c1ccc(Cc2cc(F)ccc2OCC(=O)O)c(Cl)c1
InChIInChI=1S/C17H16ClFO5S/c1-2-25(22,23)14-5-3-11(15(18)9-14)7-12-8-13(19)4-6-16(12)24-10-17(20)21/h3-6,8-9H,2,7,10H2,1H3,(H,20,21)
InChIKeyAGYBVLCHYLIYTD-UHFFFAOYSA-N
MW386.83 g/mol
LogP3.33
Rot. Bonds7

About 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid

2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid (PubChem CID 58516130) has the molecular formula C17H16ClFO5S and a molecular weight of 386.83 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid
PubChem CID58516130
Molecular FormulaC17H16ClFO5S
Molecular Weight386.83 g/mol
Exact Mass386.04
IUPAC Name2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid
SMILESCCS(=O)(=O)c1ccc(Cc2cc(F)ccc2OCC(=O)O)c(Cl)c1
InChIInChI=1S/C17H16ClFO5S/c1-2-25(22,23)14-5-3-11(15(18)9-14)7-12-8-13(19)4-6-16(12)24-10-17(20)21/h3-6,8-9H,2,7,10H2,1H3,(H,20,21)
InChIKeyAGYBVLCHYLIYTD-UHFFFAOYSA-N
XLogP3.33
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Chloro-2-((2-fluoro-5-(propylsulfonyl)phenyl)ethynyl)phenoxy)acetic acid
CID 56589600
(4-Chloro-2-((2-methyl-5-(propylsulfonyl)phenyl)ethynyl)phenoxy)acetic acid
CID 46853755
2-(2''-Chloro-4''-(ethylsulfonyl)-5-(trifluoromethyl)biphenyl-2-yloxy)acetic acid
CID 54583733
2-[2-(2-Chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 54581776
2-(2'',5-Dichloro-4''-(methylsulfonyl)biphenyl-2-yloxy)acetic acid
CID 54586637
(2R)-2-[2-(2-chloro-4-ethylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]propanoic acid
CID 54586638
3-(4-Chloro-phenoxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 10363144
2-(5-Chloro-4''-(ethylsulfonyl)-2''-(trifluoromethyl)biphenyl-2-yloxy)acetic acid
CID 11189402
2-[4-[2-[(4-Chlorophenoxy)methyl]prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid
CID 11211156
{[5-Chloro-4'-(ethylsulfonyl)biphenyl-2-yl]oxy}acetic acid
CID 11325699
2-(5-Chloro-4''-(ethylsulfonyl)-2''-methylbiphenyl-2-yloxy)acetic acid
CID 11326126
2-[4-Chloro-2-[2-(3-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid
CID 46865874

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid?
The IUPAC name of 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid (CID 58516130) is 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid is CCS(=O)(=O)c1ccc(Cc2cc(F)ccc2OCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid?
The InChIKey is AGYBVLCHYLIYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO5S/c1-2-25(22,23)14-5-3-11(15(18)9-14)7-12-8-13(19)4-6-16(12)24-10-17(20)21/h3-6,8-9H,2,7,10H2,1H3,(H,20,21).
What are the key properties of 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid?
2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid has a molecular weight of 386.83 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-ethylsulfonylphenyl)methyl]-4-fluorophenoxy]acetic acid is sourced from PubChem (CID 58516130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).