3-(4-ethylphenyl)sulfonylpropanoate

C11H13O4S- — CID 7425007

IUPAC3-(4-ethylphenyl)sulfonylpropanoate
SMILESCCc1ccc(S(=O)(=O)CCC(=O)[O-])cc1
InChIInChI=1S/C11H14O4S/c1-2-9-3-5-10(6-4-9)16(14,15)8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)/p-1
InChIKeySFZXSTPHBIIUGX-UHFFFAOYSA-M
MW241.29 g/mol
LogP0.16
Rot. Bonds5

About 3-(4-ethylphenyl)sulfonylpropanoate

3-(4-ethylphenyl)sulfonylpropanoate (PubChem CID 7425007) has the molecular formula C11H13O4S- and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(4-ethylphenyl)sulfonylpropanoate.

Molecular Properties

Compound Name3-(4-ethylphenyl)sulfonylpropanoate
PubChem CID7425007
Molecular FormulaC11H13O4S-
Molecular Weight241.29 g/mol
Exact Mass241.05
IUPAC Name3-(4-ethylphenyl)sulfonylpropanoate
SMILESCCc1ccc(S(=O)(=O)CCC(=O)[O-])cc1
InChIInChI=1S/C11H14O4S/c1-2-9-3-5-10(6-4-9)16(14,15)8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)/p-1
InChIKeySFZXSTPHBIIUGX-UHFFFAOYSA-M
XLogP0.16
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylphenyl)sulfonylpropanoate 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

3-[4-[4-(2-carboxylatoethylsulfonyl)phenyl]phenyl]sulfonylpropanoate
CID 2192650
1-ethyl-4-octylsulfonylbenzene
CID 123657292
4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride
CID 3050820
3-(4-propylsulfonylphenyl)propanoic acid
CID 43140837
4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
CID 119048571
1-(4-ethylphenyl)sulfonyl-N-methylmethanamine
CID 117036131
3-[4-(2-methylpropyl)phenyl]sulfonylpropanoic acid
CID 93189570
3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9472102
1-ethyl-4-methylsulfonylbenzene
CID 143759723
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7623956
2-(4-ethylphenyl)sulfonylacetonitrile
CID 7744986
1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene
CID 102143611

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)sulfonylpropanoate?
The IUPAC name of 3-(4-ethylphenyl)sulfonylpropanoate (CID 7425007) is 3-(4-ethylphenyl)sulfonylpropanoate.
What is the SMILES notation for 3-(4-ethylphenyl)sulfonylpropanoate?
The canonical SMILES for 3-(4-ethylphenyl)sulfonylpropanoate is CCc1ccc(S(=O)(=O)CCC(=O)[O-])cc1.
What is the InChIKey of 3-(4-ethylphenyl)sulfonylpropanoate?
The InChIKey is SFZXSTPHBIIUGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O4S/c1-2-9-3-5-10(6-4-9)16(14,15)8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)/p-1.
What are the key properties of 3-(4-ethylphenyl)sulfonylpropanoate?
3-(4-ethylphenyl)sulfonylpropanoate has a molecular weight of 241.29 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)sulfonylpropanoate is sourced from PubChem (CID 7425007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).