5-(trifluoromethyl)furan-2-sulfonyl chloride

C5H2ClF3O3S — CID 131409488

IUPAC5-(trifluoromethyl)furan-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C5H2ClF3O3S/c6-13(10,11)4-2-1-3(12-4)5(7,8)9/h1-2H
InChIKeyHETUNOAMOBFSBG-UHFFFAOYSA-N
MW234.58 g/mol
LogP2.23
Rot. Bonds1

About 5-(trifluoromethyl)furan-2-sulfonyl chloride

5-(trifluoromethyl)furan-2-sulfonyl chloride (PubChem CID 131409488) has the molecular formula C5H2ClF3O3S and a molecular weight of 234.58 g/mol. Its IUPAC name is 5-(trifluoromethyl)furan-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(trifluoromethyl)furan-2-sulfonyl chloride
PubChem CID131409488
Molecular FormulaC5H2ClF3O3S
Molecular Weight234.58 g/mol
Exact Mass233.94
IUPAC Name5-(trifluoromethyl)furan-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C5H2ClF3O3S/c6-13(10,11)4-2-1-3(12-4)5(7,8)9/h1-2H
InChIKeyHETUNOAMOBFSBG-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.58
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(trifluoromethyl)furan-2-sulfonyl chloride 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

Cimlanod
CID 76685198
5-Methylfuran-2-sulfonamide
CID 11423751
2-Furanthiol, 5-methyl-
CID 143754
2,5-Bis(trifluoromethyl)furan
CID 2736153
2,5-Dimethylfuran-3-sulfonamide
CID 57575205
2,5-dimethylfuran-3-sulfonyl Chloride
CID 2795024
5-Methylfuran-2-sulfonyl chloride
CID 17864361
5-Cyano-2-furansulfonyl chloride
CID 55279351
2-Methylfuran-3-sulfonyl chloride
CID 55279700
5-Ethylfuran-2-sulfonyl chloride
CID 119084512
5-Methylfuran-2-sulfonyl fluoride
CID 137698796
4-Methanesulfonyl-5-methylfuran-2-sulfonyl chloride
CID 137964053

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)furan-2-sulfonyl chloride?
The IUPAC name of 5-(trifluoromethyl)furan-2-sulfonyl chloride (CID 131409488) is 5-(trifluoromethyl)furan-2-sulfonyl chloride.
What is the SMILES notation for 5-(trifluoromethyl)furan-2-sulfonyl chloride?
The canonical SMILES for 5-(trifluoromethyl)furan-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(C(F)(F)F)o1.
What is the InChIKey of 5-(trifluoromethyl)furan-2-sulfonyl chloride?
The InChIKey is HETUNOAMOBFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3O3S/c6-13(10,11)4-2-1-3(12-4)5(7,8)9/h1-2H.
What are the key properties of 5-(trifluoromethyl)furan-2-sulfonyl chloride?
5-(trifluoromethyl)furan-2-sulfonyl chloride has a molecular weight of 234.58 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)furan-2-sulfonyl chloride is sourced from PubChem (CID 131409488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).