3-(2-methoxyphenyl)sulfonylpropanoic acid

C10H12O5S — CID 61297989

IUPAC3-(2-methoxyphenyl)sulfonylpropanoic acid
SMILESCOc1ccccc1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H12O5S/c1-15-8-4-2-3-5-9(8)16(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyNYZNMJVPFSDEGR-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.94
Rot. Bonds5

About 3-(2-methoxyphenyl)sulfonylpropanoic acid

3-(2-methoxyphenyl)sulfonylpropanoic acid (PubChem CID 61297989) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)sulfonylpropanoic acid
PubChem CID61297989
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Name3-(2-methoxyphenyl)sulfonylpropanoic acid
SMILESCOc1ccccc1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H12O5S/c1-15-8-4-2-3-5-9(8)16(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyNYZNMJVPFSDEGR-UHFFFAOYSA-N
XLogP0.94
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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12-[2-(3-carboxypropoxy)phenyl]sulfonyldodecanoic acid
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3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid
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N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
CID 64673696
3-(2-methoxyphenyl)sulfonylbutanoic acid
CID 61297993
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane
CID 66474370
N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine
CID 161258286
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)sulfonylpropanoic acid?
The IUPAC name of 3-(2-methoxyphenyl)sulfonylpropanoic acid (CID 61297989) is 3-(2-methoxyphenyl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)sulfonylpropanoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)sulfonylpropanoic acid is COc1ccccc1S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(2-methoxyphenyl)sulfonylpropanoic acid?
The InChIKey is NYZNMJVPFSDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c1-15-8-4-2-3-5-9(8)16(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12).
What are the key properties of 3-(2-methoxyphenyl)sulfonylpropanoic acid?
3-(2-methoxyphenyl)sulfonylpropanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)sulfonylpropanoic acid is sourced from PubChem (CID 61297989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).