3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid

C16H16FNO4S — CID 3121000

IUPAC3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(10-16(19)20)12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKeyWOPSXEFXWDHPLJ-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.63
Rot. Bonds6

About 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid

3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 3121000) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
PubChem CID3121000
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(10-16(19)20)12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKeyWOPSXEFXWDHPLJ-UHFFFAOYSA-N
XLogP2.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]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-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid (CID 3121000) is 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid is Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is WOPSXEFXWDHPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(10-16(19)20)12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid?
3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid has a molecular weight of 337.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 3121000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).