4-(trifluoromethoxy)benzenesulfonyl chloride

C7H4ClF3O3S — CID 523102

IUPAC4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H
InChIKeyUHCDBMIOLNKDHG-UHFFFAOYSA-N
MW260.62 g/mol
LogP2.51
Rot. Bonds2

About 4-(trifluoromethoxy)benzenesulfonyl chloride

4-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 523102) has the molecular formula C7H4ClF3O3S and a molecular weight of 260.62 g/mol. Its IUPAC name is 4-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID523102
Molecular FormulaC7H4ClF3O3S
Molecular Weight260.62 g/mol
Exact Mass259.95
IUPAC Name4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H
InChIKeyUHCDBMIOLNKDHG-UHFFFAOYSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.62
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(trifluoromethoxy)benzenesulfonyl chloride (CID 523102) is 4-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is UHCDBMIOLNKDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H.
What are the key properties of 4-(trifluoromethoxy)benzenesulfonyl chloride?
4-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 260.62 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 523102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).