2-(difluoromethylsulfonyl)thiophene

C5H4F2O2S2 — CID 82076235

IUPAC2-(difluoromethylsulfonyl)thiophene
SMILESO=S(=O)(c1cccs1)C(F)F
InChIInChI=1S/C5H4F2O2S2/c6-5(7)11(8,9)4-2-1-3-10-4/h1-3,5H
InChIKeyXWYVQOBLTFOIJT-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.74
Rot. Bonds2

About 2-(difluoromethylsulfonyl)thiophene

2-(difluoromethylsulfonyl)thiophene (PubChem CID 82076235) has the molecular formula C5H4F2O2S2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)thiophene.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)thiophene
PubChem CID82076235
Molecular FormulaC5H4F2O2S2
Molecular Weight198.22 g/mol
Exact Mass197.96
IUPAC Name2-(difluoromethylsulfonyl)thiophene
SMILESO=S(=O)(c1cccs1)C(F)F
InChIInChI=1S/C5H4F2O2S2/c6-5(7)11(8,9)4-2-1-3-10-4/h1-3,5H
InChIKeyXWYVQOBLTFOIJT-UHFFFAOYSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethylsulfonyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-ylsulfonylthiophene
CID 22953694
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
3-thiophen-2-ylsulfonylbutan-2-one
CID 64642163
2-(1-ethylsulfonylethylsulfonyl)thiophene
CID 11651901
2,2-difluoroethyl thiophene-2-sulfonate
CID 169095947
N-fluorothiophene-2-sulfonamide
CID 175398216
2-methyl-3-thiophen-2-ylsulfonylbutanoic acid
CID 79391486
2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
CID 20982714
sodium thiophene-2-sulfonic acid
CID 54603046
2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene
CID 57285910

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)thiophene?
The IUPAC name of 2-(difluoromethylsulfonyl)thiophene (CID 82076235) is 2-(difluoromethylsulfonyl)thiophene.
What is the SMILES notation for 2-(difluoromethylsulfonyl)thiophene?
The canonical SMILES for 2-(difluoromethylsulfonyl)thiophene is O=S(=O)(c1cccs1)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)thiophene?
The InChIKey is XWYVQOBLTFOIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2O2S2/c6-5(7)11(8,9)4-2-1-3-10-4/h1-3,5H.
What are the key properties of 2-(difluoromethylsulfonyl)thiophene?
2-(difluoromethylsulfonyl)thiophene has a molecular weight of 198.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)thiophene is sourced from PubChem (CID 82076235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).