1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene

C13H10ClFO2S — CID 56732606

IUPAC1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
SMILESO=S(=O)(Cc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFO2S/c14-11-5-7-12(8-6-11)18(16,17)9-10-3-1-2-4-13(10)15/h1-8H,9H2
InChIKeyRASQPSGYAMETCC-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.45
Rot. Bonds3

About 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene

1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene (PubChem CID 56732606) has the molecular formula C13H10ClFO2S and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
PubChem CID56732606
Molecular FormulaC13H10ClFO2S
Molecular Weight284.74 g/mol
Exact Mass284.01
IUPAC Name1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
SMILESO=S(=O)(Cc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFO2S/c14-11-5-7-12(8-6-11)18(16,17)9-10-3-1-2-4-13(10)15/h1-8H,9H2
InChIKeyRASQPSGYAMETCC-UHFFFAOYSA-N
XLogP3.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene?
The IUPAC name of 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene (CID 56732606) is 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene.
What is the SMILES notation for 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene?
The canonical SMILES for 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene is O=S(=O)(Cc1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene?
The InChIKey is RASQPSGYAMETCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2S/c14-11-5-7-12(8-6-11)18(16,17)9-10-3-1-2-4-13(10)15/h1-8H,9H2.
What are the key properties of 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene?
1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene has a molecular weight of 284.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene is sourced from PubChem (CID 56732606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).