2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid

C11H14FNO4S — CID 11334847

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H14FNO4S/c1-11(2,10(14)15)7-4-5-9(8(12)6-7)13-18(3,16)17/h4-6,13H,1-3H3,(H,14,15)
InChIKeyJXDHDLHQQQYACY-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.56
Rot. Bonds4

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid

2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid (PubChem CID 11334847) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid
PubChem CID11334847
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H14FNO4S/c1-11(2,10(14)15)7-4-5-9(8(12)6-7)13-18(3,16)17/h4-6,13H,1-3H3,(H,14,15)
InChIKeyJXDHDLHQQQYACY-UHFFFAOYSA-N
XLogP1.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic 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-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid (CID 11334847) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid?
The InChIKey is JXDHDLHQQQYACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-11(2,10(14)15)7-4-5-9(8(12)6-7)13-18(3,16)17/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 11334847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).