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

C₁₄H₁₉ClFNO₄S — CID 161450395

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 Name: 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid
• PubChem CID: 161450395
• Molecular Formula: C₁₄H₁₉ClFNO₄S
• Molecular Weight: 351.83 g/mol
• Exact Mass: 351.07
• IUPAC Name: 2-[(4-chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid
• SMILES: CCC(CC(C)(C)F)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
• InChI: 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)
• InChIKey: WALLUUPXIOEPMS-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 83.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.83
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

Sources

• PubChem CID 161450395 — identifiers, structure, computed properties (public domain)

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