2-(4-sulfamoylphenyl)propanoic acid

C9H11NO4S — CID 67587218

IUPAC2-(4-sulfamoylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-6(9(11)12)7-2-4-8(5-3-7)15(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyGTNIHNXJMUVRBM-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.52
Rot. Bonds3

About 2-(4-sulfamoylphenyl)propanoic acid

2-(4-sulfamoylphenyl)propanoic acid (PubChem CID 67587218) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(4-sulfamoylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-sulfamoylphenyl)propanoic acid
PubChem CID67587218
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-(4-sulfamoylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-6(9(11)12)7-2-4-8(5-3-7)15(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyGTNIHNXJMUVRBM-UHFFFAOYSA-N
XLogP0.52
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenyl)propanoic acid?
The IUPAC name of 2-(4-sulfamoylphenyl)propanoic acid (CID 67587218) is 2-(4-sulfamoylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-sulfamoylphenyl)propanoic acid?
The canonical SMILES for 2-(4-sulfamoylphenyl)propanoic acid is CC(C(=O)O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-sulfamoylphenyl)propanoic acid?
The InChIKey is GTNIHNXJMUVRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-6(9(11)12)7-2-4-8(5-3-7)15(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-(4-sulfamoylphenyl)propanoic acid?
2-(4-sulfamoylphenyl)propanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenyl)propanoic acid is sourced from PubChem (CID 67587218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).