2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene

C16H16F2O2S — CID 68919271

IUPAC2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
SMILESCCc1cc(F)ccc1S(=O)(=O)c1ccc(F)cc1CC
InChIInChI=1S/C16H16F2O2S/c1-3-11-9-13(17)5-7-15(11)21(19,20)16-8-6-14(18)10-12(16)4-2/h5-10H,3-4H2,1-2H3
InChIKeyDSRWGXKWEUBGHD-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.92
Rot. Bonds4

About 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene

2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene (PubChem CID 68919271) has the molecular formula C16H16F2O2S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene.

Molecular Properties

Compound Name2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
PubChem CID68919271
Molecular FormulaC16H16F2O2S
Molecular Weight310.37 g/mol
Exact Mass310.08
IUPAC Name2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
SMILESCCc1cc(F)ccc1S(=O)(=O)c1ccc(F)cc1CC
InChIInChI=1S/C16H16F2O2S/c1-3-11-9-13(17)5-7-15(11)21(19,20)16-8-6-14(18)10-12(16)4-2/h5-10H,3-4H2,1-2H3
InChIKeyDSRWGXKWEUBGHD-UHFFFAOYSA-N
XLogP3.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-fluorobenzenesulfonyl chloride
CID 87439180
2-ethyl-1,4-difluorobenzene
CID 23202513
2-ethyl-4-fluorobenzenethiol
CID 91874071
(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride
CID 66877132
N,2-diethyl-4-fluoroaniline
CID 23348964
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
CID 84773708
(2-ethyl-4-fluorophenyl)boronic acid
CID 90206315
dipotassium;[5-fluoro-2-[4-fluoro-2-(oxidoperoxysulfanylmethyl)phenyl]sulfonylphenyl]methanesulfonate
CID 58983861
2-(5-fluoro-2-sulfamoylphenyl)acetic acid
CID 141356629
2-ethyl-4-fluorobenzoic acid
CID 22101376

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene?
The IUPAC name of 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene (CID 68919271) is 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene.
What is the SMILES notation for 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene?
The canonical SMILES for 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene is CCc1cc(F)ccc1S(=O)(=O)c1ccc(F)cc1CC.
What is the InChIKey of 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene?
The InChIKey is DSRWGXKWEUBGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2S/c1-3-11-9-13(17)5-7-15(11)21(19,20)16-8-6-14(18)10-12(16)4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene?
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene has a molecular weight of 310.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene is sourced from PubChem (CID 68919271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).