4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride

C11H4ClF11O2S — CID 45379920

IUPAC4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H4ClF11O2S/c12-26(24,25)6-3-1-5(2-4-6)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)23/h1-4H
InChIKeyUWWJMULYOGIJQR-UHFFFAOYSA-N
MW444.65 g/mol
LogP5.17
Rot. Bonds5

About 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride

4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride (PubChem CID 45379920) has the molecular formula C11H4ClF11O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride
PubChem CID45379920
Molecular FormulaC11H4ClF11O2S
Molecular Weight444.65 g/mol
Exact Mass443.94
IUPAC Name4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H4ClF11O2S/c12-26(24,25)6-3-1-5(2-4-6)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)23/h1-4H
InChIKeyUWWJMULYOGIJQR-UHFFFAOYSA-N
XLogP5.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.65
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride?
The IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride (CID 45379920) is 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride?
The InChIKey is UWWJMULYOGIJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF11O2S/c12-26(24,25)6-3-1-5(2-4-6)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)23/h1-4H.
What are the key properties of 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride?
4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride has a molecular weight of 444.65 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonyl chloride is sourced from PubChem (CID 45379920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).