3-(3-hydroxyphenyl)sulfonylpropanoic acid

C9H10O5S — CID 84693395

IUPAC3-(3-hydroxyphenyl)sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C9H10O5S/c10-7-2-1-3-8(6-7)15(13,14)5-4-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChIKeyKSHVCDKPJXJKHV-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.64
Rot. Bonds4

About 3-(3-hydroxyphenyl)sulfonylpropanoic acid

3-(3-hydroxyphenyl)sulfonylpropanoic acid (PubChem CID 84693395) has the molecular formula C9H10O5S and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)sulfonylpropanoic acid
PubChem CID84693395
Molecular FormulaC9H10O5S
Molecular Weight230.24 g/mol
Exact Mass230.02
IUPAC Name3-(3-hydroxyphenyl)sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C9H10O5S/c10-7-2-1-3-8(6-7)15(13,14)5-4-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChIKeyKSHVCDKPJXJKHV-UHFFFAOYSA-N
XLogP0.64
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxyphenyl)sulfonylpropanoic acid 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

2-(3-hydroxyphenyl)sulfonylethylcarbamic acid
CID 139485959
3-(2-fluoroethylsulfonyl)phenol
CID 84672154
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
1-(3-hydroxyphenyl)sulfonylpropan-2-one
CID 58482507
3-[4-[4-(2-carboxyethylsulfonyl)phenyl]phenyl]sulfonylpropanoic acid
CID 2192651
2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid
CID 54486276
3-(2,2-difluoroethylsulfonyl)phenol
CID 84687411
3-(4-benzoylphenyl)sulfonylpropanoic acid
CID 18533027
3-fluoro-3-(3-hydroxyphenyl)sulfonylpropanoic acid
CID 115046293
3-(3-chloro-4-methylphenyl)sulfonylpropanoic acid
CID 54072627
3-(3-hydroxyphenyl)sulfonylphenol;zinc
CID 70457337
7-(benzenesulfonyl)heptanoic acid
CID 70396928

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)sulfonylpropanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)sulfonylpropanoic acid (CID 84693395) is 3-(3-hydroxyphenyl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)sulfonylpropanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)sulfonylpropanoic acid is O=C(O)CCS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)sulfonylpropanoic acid?
The InChIKey is KSHVCDKPJXJKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5S/c10-7-2-1-3-8(6-7)15(13,14)5-4-9(11)12/h1-3,6,10H,4-5H2,(H,11,12).
What are the key properties of 3-(3-hydroxyphenyl)sulfonylpropanoic acid?
3-(3-hydroxyphenyl)sulfonylpropanoic acid has a molecular weight of 230.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)sulfonylpropanoic acid is sourced from PubChem (CID 84693395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).