1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene

C24H22F2O3S — CID 155297823

IUPAC1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(OCc3ccccc3F)cc2)CCCC1
InChIInChI=1S/C24H22F2O3S/c25-20-9-13-22(14-10-20)30(27,28)24(15-3-4-16-24)19-7-11-21(12-8-19)29-17-18-5-1-2-6-23(18)26/h1-2,5-14H,3-4,15-17H2
InChIKeyGPKZPYALROIFFH-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.79
Rot. Bonds6

About 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene

1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene (PubChem CID 155297823) has the molecular formula C24H22F2O3S and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene
PubChem CID155297823
Molecular FormulaC24H22F2O3S
Molecular Weight428.50 g/mol
Exact Mass428.13
IUPAC Name1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(OCc3ccccc3F)cc2)CCCC1
InChIInChI=1S/C24H22F2O3S/c25-20-9-13-22(14-10-20)30(27,28)24(15-3-4-16-24)19-7-11-21(12-8-19)29-17-18-5-1-2-6-23(18)26/h1-2,5-14H,3-4,15-17H2
InChIKeyGPKZPYALROIFFH-UHFFFAOYSA-N
XLogP5.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene
CID 118220790
1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene
CID 155297824
2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
CID 174968414
1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)benzene
CID 122677016
3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzonitrile
CID 122679521
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
CID 133477267
1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 60777072
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline
CID 15887603
(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 63932845
1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one
CID 22996151
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene?
The IUPAC name of 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene (CID 155297823) is 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene?
The canonical SMILES for 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(OCc3ccccc3F)cc2)CCCC1.
What is the InChIKey of 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene?
The InChIKey is GPKZPYALROIFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2O3S/c25-20-9-13-22(14-10-20)30(27,28)24(15-3-4-16-24)19-7-11-21(12-8-19)29-17-18-5-1-2-6-23(18)26/h1-2,5-14H,3-4,15-17H2.
What are the key properties of 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene?
1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene has a molecular weight of 428.50 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene is sourced from PubChem (CID 155297823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).