2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid

C14H19ClFNO4S — CID 161450395

IUPAC2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid
SMILESCCC(CC(C)(C)F)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H19ClFNO4S/c1-4-14(12(18)19,9-13(2,3)16)17-22(20,21)11-7-5-10(15)6-8-11/h5-8,17H,4,9H2,1-3H3,(H,18,19)
InChIKeyWALLUUPXIOEPMS-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.99
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid

2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid (PubChem CID 161450395) has the molecular formula C14H19ClFNO4S and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid
PubChem CID161450395
Molecular FormulaC14H19ClFNO4S
Molecular Weight351.83 g/mol
Exact Mass351.07
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid
SMILESCCC(CC(C)(C)F)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H19ClFNO4S/c1-4-14(12(18)19,9-13(2,3)16)17-22(20,21)11-7-5-10(15)6-8-11/h5-8,17H,4,9H2,1-3H3,(H,18,19)
InChIKeyWALLUUPXIOEPMS-UHFFFAOYSA-N
XLogP2.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic 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-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid (CID 161450395) is 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid is CCC(CC(C)(C)F)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid?
The InChIKey is WALLUUPXIOEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO4S/c1-4-14(12(18)19,9-13(2,3)16)17-22(20,21)11-7-5-10(15)6-8-11/h5-8,17H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid?
2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid has a molecular weight of 351.83 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid is sourced from PubChem (CID 161450395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).