3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid

C15H14FNO4S — CID 2887580

IUPAC3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H14FNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(10-15(18)19)11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)
InChIKeyZMOJNQDPJAGMHS-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.32
Rot. Bonds6

About 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid

3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 2887580) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID2887580
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H14FNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(10-15(18)19)11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)
InChIKeyZMOJNQDPJAGMHS-UHFFFAOYSA-N
XLogP2.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic 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)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid (CID 2887580) is 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid is O=C(O)CC(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is ZMOJNQDPJAGMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(10-15(18)19)11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid?
3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 323.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 2887580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).