2-(4-ethylphenyl)sulfonylpropanoic acid

C11H14O4S — CID 82020942

IUPAC2-(4-ethylphenyl)sulfonylpropanoic acid
SMILESCCc1ccc(S(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C11H14O4S/c1-3-9-4-6-10(7-5-9)16(14,15)8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyOFYVAMLOZLHXKS-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-ethylphenyl)sulfonylpropanoic acid

2-(4-ethylphenyl)sulfonylpropanoic acid (PubChem CID 82020942) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-ethylphenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)sulfonylpropanoic acid
PubChem CID82020942
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name2-(4-ethylphenyl)sulfonylpropanoic acid
SMILESCCc1ccc(S(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C11H14O4S/c1-3-9-4-6-10(7-5-9)16(14,15)8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyOFYVAMLOZLHXKS-UHFFFAOYSA-N
XLogP1.50
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)sulfonyl-3-methylbutanoic acid
CID 15130543
2-(4-ethylphenyl)sulfonyl-2-(methylamino)acetic acid
CID 117037888
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
5-chloro-1-methylindole-2-carboxamide;(2S)-2-(4-ethylphenyl)sulfonylpropanoic acid
CID 142427762
2-[4-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 58198696
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
2-[4-(cyclopropanecarbonyl)phenyl]sulfonylpropanoic acid
CID 82165157
1-(4-ethylphenyl)-2-methylsulfonylpropan-1-one
CID 62784024
1-ethyl-4-methylsulfonylbenzene
CID 143759723
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50892780
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
2-(4-butan-2-ylphenyl)sulfonyl-2-chloroacetic acid
CID 23382710

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)sulfonylpropanoic acid?
The IUPAC name of 2-(4-ethylphenyl)sulfonylpropanoic acid (CID 82020942) is 2-(4-ethylphenyl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)sulfonylpropanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)sulfonylpropanoic acid is CCc1ccc(S(=O)(=O)C(C)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)sulfonylpropanoic acid?
The InChIKey is OFYVAMLOZLHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-3-9-4-6-10(7-5-9)16(14,15)8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-ethylphenyl)sulfonylpropanoic acid?
2-(4-ethylphenyl)sulfonylpropanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)sulfonylpropanoic acid is sourced from PubChem (CID 82020942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).