2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene

C13H9F3O2S — CID 64717962

IUPAC2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C13H9F3O2S/c14-10-3-5-12(6-4-10)19(17,18)8-9-1-2-11(15)7-13(9)16/h1-7H,8H2
InChIKeyVQSPWGTWPIZMOF-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.08
Rot. Bonds3

About 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene

2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene (PubChem CID 64717962) has the molecular formula C13H9F3O2S and a molecular weight of 286.27 g/mol. Its IUPAC name is 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
PubChem CID64717962
Molecular FormulaC13H9F3O2S
Molecular Weight286.27 g/mol
Exact Mass286.03
IUPAC Name2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C13H9F3O2S/c14-10-3-5-12(6-4-10)19(17,18)8-9-1-2-11(15)7-13(9)16/h1-7H,8H2
InChIKeyVQSPWGTWPIZMOF-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 60777072
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472
[2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorophenyl]methanamine
CID 64763606
[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
CID 64697361
4-bromo-1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
CID 604533
3-chloro-5-[(2,4-difluorophenyl)methylsulfonyl]benzonitrile
CID 158690266
[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697774
4-[(2,5-difluorophenyl)methylsulfonyl]benzoic acid
CID 60972281
[4-[(4-bromophenyl)sulfonylmethyl]-3-fluorophenyl]methanamine
CID 64696775
4-[(4-chloro-2-fluorophenyl)methylsulfonyl]benzoic acid
CID 114849298
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 107881466
3-fluoro-4-[(4-methylphenyl)sulfonylmethyl]benzonitrile
CID 60731049

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene?
The IUPAC name of 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene (CID 64717962) is 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene is O=S(=O)(Cc1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene?
The InChIKey is VQSPWGTWPIZMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2S/c14-10-3-5-12(6-4-10)19(17,18)8-9-1-2-11(15)7-13(9)16/h1-7H,8H2.
What are the key properties of 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene?
2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene has a molecular weight of 286.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene is sourced from PubChem (CID 64717962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).