1-(4-chlorophenyl)sulfonyl-4-fluorobenzene

C12H8ClFO2S — CID 786373

IUPAC1-(4-chlorophenyl)sulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClFO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKeyURPIOHXFOXUKJB-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.31
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene

1-(4-chlorophenyl)sulfonyl-4-fluorobenzene (PubChem CID 786373) has the molecular formula C12H8ClFO2S and a molecular weight of 270.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-fluorobenzene
PubChem CID786373
Molecular FormulaC12H8ClFO2S
Molecular Weight270.71 g/mol
Exact Mass269.99
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClFO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKeyURPIOHXFOXUKJB-UHFFFAOYSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene (CID 786373) is 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene is O=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene?
The InChIKey is URPIOHXFOXUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene?
1-(4-chlorophenyl)sulfonyl-4-fluorobenzene has a molecular weight of 270.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-fluorobenzene is sourced from PubChem (CID 786373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).