3-(4-sulfamoylphenyl)propanoic acid

C9H11NO4S — CID 3161908

IUPAC3-(4-sulfamoylphenyl)propanoic acid
SMILESNS(=O)(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
InChIKeyJUEONDBIBADVGD-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.35
Rot. Bonds4

About 3-(4-sulfamoylphenyl)propanoic acid

3-(4-sulfamoylphenyl)propanoic acid (PubChem CID 3161908) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(4-sulfamoylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-sulfamoylphenyl)propanoic acid
PubChem CID3161908
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name3-(4-sulfamoylphenyl)propanoic acid
SMILESNS(=O)(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
InChIKeyJUEONDBIBADVGD-UHFFFAOYSA-N
XLogP0.35
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 30545073
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CID 579784
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CID 2736960
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CID 2223404
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Frequently Asked Questions

What is the IUPAC name of 3-(4-sulfamoylphenyl)propanoic acid?
The IUPAC name of 3-(4-sulfamoylphenyl)propanoic acid (CID 3161908) is 3-(4-sulfamoylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-sulfamoylphenyl)propanoic acid?
The canonical SMILES for 3-(4-sulfamoylphenyl)propanoic acid is NS(=O)(=O)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-(4-sulfamoylphenyl)propanoic acid?
The InChIKey is JUEONDBIBADVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14).
What are the key properties of 3-(4-sulfamoylphenyl)propanoic acid?
3-(4-sulfamoylphenyl)propanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-sulfamoylphenyl)propanoic acid is sourced from PubChem (CID 3161908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).