2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride

C13H8ClF3O3S — CID 87588000

IUPAC2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8ClF3O3S/c14-21(18,19)12-4-2-1-3-11(12)20-10-7-5-9(6-8-10)13(15,16)17/h1-8H
InChIKeyWPKPDJFPGZYFTO-UHFFFAOYSA-N
MW336.72 g/mol
LogP4.43
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride

2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride (PubChem CID 87588000) has the molecular formula C13H8ClF3O3S and a molecular weight of 336.72 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
PubChem CID87588000
Molecular FormulaC13H8ClF3O3S
Molecular Weight336.72 g/mol
Exact Mass335.98
IUPAC Name2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8ClF3O3S/c14-21(18,19)12-4-2-1-3-11(12)20-10-7-5-9(6-8-10)13(15,16)17/h1-8H
InChIKeyWPKPDJFPGZYFTO-UHFFFAOYSA-N
XLogP4.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride (CID 87588000) is 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride?
The InChIKey is WPKPDJFPGZYFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O3S/c14-21(18,19)12-4-2-1-3-11(12)20-10-7-5-9(6-8-10)13(15,16)17/h1-8H.
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride?
2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride has a molecular weight of 336.72 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride is sourced from PubChem (CID 87588000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).