3-[4-(ethylsulfamoyl)phenyl]propanoic acid

C11H15NO4S — CID 2223404

IUPAC3-[4-(ethylsulfamoyl)phenyl]propanoic acid
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-2-12-17(15,16)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7,12H,2,5,8H2,1H3,(H,13,14)
InChIKeyMMGPPPRPCDHZIQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.00
Rot. Bonds6

About 3-[4-(ethylsulfamoyl)phenyl]propanoic acid

3-[4-(ethylsulfamoyl)phenyl]propanoic acid (PubChem CID 2223404) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[4-(ethylsulfamoyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(ethylsulfamoyl)phenyl]propanoic acid
PubChem CID2223404
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3-[4-(ethylsulfamoyl)phenyl]propanoic acid
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-2-12-17(15,16)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7,12H,2,5,8H2,1H3,(H,13,14)
InChIKeyMMGPPPRPCDHZIQ-UHFFFAOYSA-N
XLogP1.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(ethylsulfamoyl)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]propanoic acid (CID 2223404) is 3-[4-(ethylsulfamoyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(ethylsulfamoyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(ethylsulfamoyl)phenyl]propanoic acid is CCNS(=O)(=O)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(ethylsulfamoyl)phenyl]propanoic acid?
The InChIKey is MMGPPPRPCDHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-12-17(15,16)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7,12H,2,5,8H2,1H3,(H,13,14).
What are the key properties of 3-[4-(ethylsulfamoyl)phenyl]propanoic acid?
3-[4-(ethylsulfamoyl)phenyl]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylsulfamoyl)phenyl]propanoic acid is sourced from PubChem (CID 2223404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).