1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide

C4H7F4NO2S — CID 58436063

IUPAC1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)CC(F)F
InChIInChI=1S/C4H7F4NO2S/c1-9-12(10,11)4(7,8)2-3(5)6/h3,9H,2H2,1H3
InChIKeyRATWWEUPSRQFRN-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.78
Rot. Bonds4

About 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide

1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide (PubChem CID 58436063) has the molecular formula C4H7F4NO2S and a molecular weight of 209.16 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide
PubChem CID58436063
Molecular FormulaC4H7F4NO2S
Molecular Weight209.16 g/mol
Exact Mass209.01
IUPAC Name1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)CC(F)F
InChIInChI=1S/C4H7F4NO2S/c1-9-12(10,11)4(7,8)2-3(5)6/h3,9H,2H2,1H3
InChIKeyRATWWEUPSRQFRN-UHFFFAOYSA-N
XLogP0.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,3,3-tetrafluoro-N-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 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide?
The IUPAC name of 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide (CID 58436063) is 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide?
The canonical SMILES for 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide is CNS(=O)(=O)C(F)(F)CC(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide?
The InChIKey is RATWWEUPSRQFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F4NO2S/c1-9-12(10,11)4(7,8)2-3(5)6/h3,9H,2H2,1H3.
What are the key properties of 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide?
1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide has a molecular weight of 209.16 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 58436063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).