2-(2-cyclopentylsulfonylethoxy)benzoic acid

C14H18O5S — CID 63114508

IUPAC2-(2-cyclopentylsulfonylethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H18O5S/c15-14(16)12-7-3-4-8-13(12)19-9-10-20(17,18)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,15,16)
InChIKeyLCQZHBMEJUWFCL-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-cyclopentylsulfonylethoxy)benzoic acid

2-(2-cyclopentylsulfonylethoxy)benzoic acid (PubChem CID 63114508) has the molecular formula C14H18O5S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(2-cyclopentylsulfonylethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-cyclopentylsulfonylethoxy)benzoic acid
PubChem CID63114508
Molecular FormulaC14H18O5S
Molecular Weight298.36 g/mol
Exact Mass298.09
IUPAC Name2-(2-cyclopentylsulfonylethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H18O5S/c15-14(16)12-7-3-4-8-13(12)19-9-10-20(17,18)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,15,16)
InChIKeyLCQZHBMEJUWFCL-UHFFFAOYSA-N
XLogP2.12
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclobutyloxyethoxy)benzoic acid
CID 62115794
2-(cyclopentyloxymethoxy)benzoic acid
CID 68845685
2-[2-(3-amino-3-oxopropyl)sulfonylethoxy]benzoic acid
CID 43310232
2-[3-(cyclopentylmethylsulfanyl)propoxy]benzoic acid
CID 63119953
2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
CID 103240030
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-[2-[[(1S)-1-cyclohexylethyl]amino]ethoxy]benzoic acid
CID 103257504
2-[3-(2,6-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 22682087
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-(16-chlorohexadecoxy)benzoic acid
CID 56630672

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylsulfonylethoxy)benzoic acid?
The IUPAC name of 2-(2-cyclopentylsulfonylethoxy)benzoic acid (CID 63114508) is 2-(2-cyclopentylsulfonylethoxy)benzoic acid.
What is the SMILES notation for 2-(2-cyclopentylsulfonylethoxy)benzoic acid?
The canonical SMILES for 2-(2-cyclopentylsulfonylethoxy)benzoic acid is O=C(O)c1ccccc1OCCS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylsulfonylethoxy)benzoic acid?
The InChIKey is LCQZHBMEJUWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5S/c15-14(16)12-7-3-4-8-13(12)19-9-10-20(17,18)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,15,16).
What are the key properties of 2-(2-cyclopentylsulfonylethoxy)benzoic acid?
2-(2-cyclopentylsulfonylethoxy)benzoic acid has a molecular weight of 298.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylsulfonylethoxy)benzoic acid is sourced from PubChem (CID 63114508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).