3,3-difluoro-2-methylpropane-1-sulfonamide

C4H9F2NO2S — CID 126718378

IUPAC3,3-difluoro-2-methylpropane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)C(F)F
InChIInChI=1S/C4H9F2NO2S/c1-3(4(5)6)2-10(7,8)9/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKeyIFURWMLRAAUKNH-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.18
Rot. Bonds3

About 3,3-difluoro-2-methylpropane-1-sulfonamide

3,3-difluoro-2-methylpropane-1-sulfonamide (PubChem CID 126718378) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is 3,3-difluoro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3,3-difluoro-2-methylpropane-1-sulfonamide
PubChem CID126718378
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC Name3,3-difluoro-2-methylpropane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)C(F)F
InChIInChI=1S/C4H9F2NO2S/c1-3(4(5)6)2-10(7,8)9/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKeyIFURWMLRAAUKNH-UHFFFAOYSA-N
XLogP0.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-2-methylpropane-1-sulfonamide 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 3,3-difluoro-2-methylpropane-1-sulfonamide?
The IUPAC name of 3,3-difluoro-2-methylpropane-1-sulfonamide (CID 126718378) is 3,3-difluoro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3,3-difluoro-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3,3-difluoro-2-methylpropane-1-sulfonamide is CC(CS(N)(=O)=O)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methylpropane-1-sulfonamide?
The InChIKey is IFURWMLRAAUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-3(4(5)6)2-10(7,8)9/h3-4H,2H2,1H3,(H2,7,8,9).
What are the key properties of 3,3-difluoro-2-methylpropane-1-sulfonamide?
3,3-difluoro-2-methylpropane-1-sulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 126718378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).