4-(trifluoromethyl)benzenesulfonyl chloride

C7H4ClF3O2S — CID 2777399

IUPAC4-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKeyOZDCZHDOIBUGAJ-UHFFFAOYSA-N
MW244.62 g/mol
LogP2.63
Rot. Bonds1

About 4-(trifluoromethyl)benzenesulfonyl chloride

4-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 2777399) has the molecular formula C7H4ClF3O2S and a molecular weight of 244.62 g/mol. Its IUPAC name is 4-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID2777399
Molecular FormulaC7H4ClF3O2S
Molecular Weight244.62 g/mol
Exact Mass243.96
IUPAC Name4-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKeyOZDCZHDOIBUGAJ-UHFFFAOYSA-N
XLogP2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.62
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(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-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-(trifluoromethyl)benzenesulfonyl chloride (CID 2777399) is 4-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is OZDCZHDOIBUGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H.
What are the key properties of 4-(trifluoromethyl)benzenesulfonyl chloride?
4-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 244.62 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 2777399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).