1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide

C7H5F4NO2S — CID 13498496

IUPAC1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)C(F)(F)F
InChIInChI=1S/C7H5F4NO2S/c8-5-3-1-2-4-6(5)12-15(13,14)7(9,10)11/h1-4,12H
InChIKeyVEFZKDKOLKBWQO-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.09
Rot. Bonds2

About 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide

1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide (PubChem CID 13498496) has the molecular formula C7H5F4NO2S and a molecular weight of 243.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide
PubChem CID13498496
Molecular FormulaC7H5F4NO2S
Molecular Weight243.18 g/mol
Exact Mass243.00
IUPAC Name1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)C(F)(F)F
InChIInChI=1S/C7H5F4NO2S/c8-5-3-1-2-4-6(5)12-15(13,14)7(9,10)11/h1-4,12H
InChIKeyVEFZKDKOLKBWQO-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide 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 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide (CID 13498496) is 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide is O=S(=O)(Nc1ccccc1F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide?
The InChIKey is VEFZKDKOLKBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO2S/c8-5-3-1-2-4-6(5)12-15(13,14)7(9,10)11/h1-4,12H.
What are the key properties of 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide has a molecular weight of 243.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 13498496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).