4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene

C14H12F2O2S — CID 114349484

IUPAC4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
SMILESCc1cc(F)ccc1CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H12F2O2S/c1-10-8-12(15)7-6-11(10)9-19(17,18)14-5-3-2-4-13(14)16/h2-8H,9H2,1H3
InChIKeyBCILNYQXKWWXGG-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.25
Rot. Bonds3

About 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene

4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene (PubChem CID 114349484) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene.

Molecular Properties

Compound Name4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
PubChem CID114349484
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
SMILESCc1cc(F)ccc1CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H12F2O2S/c1-10-8-12(15)7-6-11(10)9-19(17,18)14-5-3-2-4-13(14)16/h2-8H,9H2,1H3
InChIKeyBCILNYQXKWWXGG-UHFFFAOYSA-N
XLogP3.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene?
The IUPAC name of 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene (CID 114349484) is 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene.
What is the SMILES notation for 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene?
The canonical SMILES for 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene is Cc1cc(F)ccc1CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene?
The InChIKey is BCILNYQXKWWXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-10-8-12(15)7-6-11(10)9-19(17,18)14-5-3-2-4-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene?
4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene has a molecular weight of 282.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene is sourced from PubChem (CID 114349484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).