4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride

C7H4ClF3O3S — CID 122199052

IUPAC4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C7H4ClF3O3S/c8-15(13,14)4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKeyGEZCHSUBLWSUNJ-UHFFFAOYSA-N
MW260.62 g/mol
LogP2.34
Rot. Bonds1

About 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride

4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 122199052) has the molecular formula C7H4ClF3O3S and a molecular weight of 260.62 g/mol. Its IUPAC name is 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID122199052
Molecular FormulaC7H4ClF3O3S
Molecular Weight260.62 g/mol
Exact Mass259.95
IUPAC Name4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C7H4ClF3O3S/c8-15(13,14)4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKeyGEZCHSUBLWSUNJ-UHFFFAOYSA-N
XLogP2.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride 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 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride (CID 122199052) is 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is GEZCHSUBLWSUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O3S/c8-15(13,14)4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H.
What are the key properties of 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride?
4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 260.62 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 122199052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).