3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid

C22H21NO5S — CID 8933589

IUPAC3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO5S/c24-22(25)15-8-17-6-13-21(14-7-17)29(26,27)23-19-9-11-20(12-10-19)28-16-18-4-2-1-3-5-18/h1-7,9-14,23H,8,15-16H2,(H,24,25)
InChIKeyJAGNDVZMSFLGNZ-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.08
Rot. Bonds9

About 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid

3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid (PubChem CID 8933589) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid
PubChem CID8933589
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC Name3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO5S/c24-22(25)15-8-17-6-13-21(14-7-17)29(26,27)23-19-9-11-20(12-10-19)28-16-18-4-2-1-3-5-18/h1-7,9-14,23H,8,15-16H2,(H,24,25)
InChIKeyJAGNDVZMSFLGNZ-UHFFFAOYSA-N
XLogP4.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]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-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid (CID 8933589) is 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid is O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid?
The InChIKey is JAGNDVZMSFLGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c24-22(25)15-8-17-6-13-21(14-7-17)29(26,27)23-19-9-11-20(12-10-19)28-16-18-4-2-1-3-5-18/h1-7,9-14,23H,8,15-16H2,(H,24,25).
What are the key properties of 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid?
3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid has a molecular weight of 411.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 8933589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).