3-(4-fluorooxan-4-yl)benzenesulfonyl chloride

C11H12ClFO3S — CID 84730362

IUPAC3-(4-fluorooxan-4-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C2(F)CCOCC2)c1
InChIInChI=1S/C11H12ClFO3S/c12-17(14,15)10-3-1-2-9(8-10)11(13)4-6-16-7-5-11/h1-3,8H,4-7H2
InChIKeyNYYXCHZKKACWQZ-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.59
Rot. Bonds2

About 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride

3-(4-fluorooxan-4-yl)benzenesulfonyl chloride (PubChem CID 84730362) has the molecular formula C11H12ClFO3S and a molecular weight of 278.73 g/mol. Its IUPAC name is 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(4-fluorooxan-4-yl)benzenesulfonyl chloride
PubChem CID84730362
Molecular FormulaC11H12ClFO3S
Molecular Weight278.73 g/mol
Exact Mass278.02
IUPAC Name3-(4-fluorooxan-4-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C2(F)CCOCC2)c1
InChIInChI=1S/C11H12ClFO3S/c12-17(14,15)10-3-1-2-9(8-10)11(13)4-6-16-7-5-11/h1-3,8H,4-7H2
InChIKeyNYYXCHZKKACWQZ-UHFFFAOYSA-N
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride?
The IUPAC name of 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride (CID 84730362) is 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride?
The canonical SMILES for 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(C2(F)CCOCC2)c1.
What is the InChIKey of 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride?
The InChIKey is NYYXCHZKKACWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3S/c12-17(14,15)10-3-1-2-9(8-10)11(13)4-6-16-7-5-11/h1-3,8H,4-7H2.
What are the key properties of 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride?
3-(4-fluorooxan-4-yl)benzenesulfonyl chloride has a molecular weight of 278.73 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorooxan-4-yl)benzenesulfonyl chloride is sourced from PubChem (CID 84730362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).