2-(2-methoxyphenyl)sulfonylpentanoic acid

C12H16O5S — CID 83037663

IUPAC2-(2-methoxyphenyl)sulfonylpentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C12H16O5S/c1-3-6-11(12(13)14)18(15,16)10-8-5-4-7-9(10)17-2/h4-5,7-8,11H,3,6H2,1-2H3,(H,13,14)
InChIKeyWMCGRLBENRIHAU-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.72
Rot. Bonds6

About 2-(2-methoxyphenyl)sulfonylpentanoic acid

2-(2-methoxyphenyl)sulfonylpentanoic acid (PubChem CID 83037663) has the molecular formula C12H16O5S and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonylpentanoic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonylpentanoic acid
PubChem CID83037663
Molecular FormulaC12H16O5S
Molecular Weight272.32 g/mol
Exact Mass272.07
IUPAC Name2-(2-methoxyphenyl)sulfonylpentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C12H16O5S/c1-3-6-11(12(13)14)18(15,16)10-8-5-4-7-9(10)17-2/h4-5,7-8,11H,3,6H2,1-2H3,(H,13,14)
InChIKeyWMCGRLBENRIHAU-UHFFFAOYSA-N
XLogP1.72
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)sulfonylbutanoic acid
CID 61297993
3-(2-methoxyphenyl)sulfonylbutan-2-one
CID 64637155
2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
CID 115040041
2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
2-(2-methoxyphenyl)sulfonylbutan-1-amine
CID 64698684
4-amino-2-(2-methylphenyl)sulfonylbutanoic acid
CID 64693402
4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid
CID 62479342
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid
CID 103224424
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonylpentanoic acid?
The IUPAC name of 2-(2-methoxyphenyl)sulfonylpentanoic acid (CID 83037663) is 2-(2-methoxyphenyl)sulfonylpentanoic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonylpentanoic acid?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonylpentanoic acid is CCCC(C(=O)O)S(=O)(=O)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonylpentanoic acid?
The InChIKey is WMCGRLBENRIHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5S/c1-3-6-11(12(13)14)18(15,16)10-8-5-4-7-9(10)17-2/h4-5,7-8,11H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-methoxyphenyl)sulfonylpentanoic acid?
2-(2-methoxyphenyl)sulfonylpentanoic acid has a molecular weight of 272.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonylpentanoic acid is sourced from PubChem (CID 83037663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).