2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid

C16H17NO5S — CID 3704629

IUPAC2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c18-16(19)12-22-14-6-8-15(9-7-14)23(20,21)17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2,(H,18,19)
InChIKeyZLWYFQNVNBEUBY-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.67
Rot. Bonds8

About 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid

2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid (PubChem CID 3704629) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid
PubChem CID3704629
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c18-16(19)12-22-14-6-8-15(9-7-14)23(20,21)17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2,(H,18,19)
InChIKeyZLWYFQNVNBEUBY-UHFFFAOYSA-N
XLogP1.67
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic 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 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid (CID 3704629) is 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid?
The InChIKey is ZLWYFQNVNBEUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c18-16(19)12-22-14-6-8-15(9-7-14)23(20,21)17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2,(H,18,19).
What are the key properties of 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid?
2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid has a molecular weight of 335.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethylsulfamoyl)phenoxy]acetic acid is sourced from PubChem (CID 3704629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).