2-(difluoromethylsulfonylamino)-2-methylpentanoic acid

C7H13F2NO4S — CID 43619244

IUPAC2-(difluoromethylsulfonylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H13F2NO4S/c1-3-4-7(2,5(11)12)10-15(13,14)6(8)9/h6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyZVLMQWYFENMCFV-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.77
Rot. Bonds6

About 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid

2-(difluoromethylsulfonylamino)-2-methylpentanoic acid (PubChem CID 43619244) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-2-methylpentanoic acid
PubChem CID43619244
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Name2-(difluoromethylsulfonylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H13F2NO4S/c1-3-4-7(2,5(11)12)10-15(13,14)6(8)9/h6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyZVLMQWYFENMCFV-UHFFFAOYSA-N
XLogP0.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethylsulfonylamino)-2-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-(difluoromethylsulfonylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid (CID 43619244) is 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)C(F)F)C(=O)O.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid?
The InChIKey is ZVLMQWYFENMCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-3-4-7(2,5(11)12)10-15(13,14)6(8)9/h6,10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid?
2-(difluoromethylsulfonylamino)-2-methylpentanoic acid has a molecular weight of 245.25 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-2-methylpentanoic acid is sourced from PubChem (CID 43619244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).