2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol

C20H23FO3S — CID 174968414

IUPAC2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C20H23FO3S/c1-19(2,22)15-5-7-16(8-6-15)20(13-3-4-14-20)25(23,24)18-11-9-17(21)10-12-18/h5-12,22H,3-4,13-14H2,1-2H3
InChIKeyBFPGIZHFYMJDGK-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.30
Rot. Bonds4

About 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol

2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol (PubChem CID 174968414) has the molecular formula C20H23FO3S and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
PubChem CID174968414
Molecular FormulaC20H23FO3S
Molecular Weight362.47 g/mol
Exact Mass362.14
IUPAC Name2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C20H23FO3S/c1-19(2,22)15-5-7-16(8-6-15)20(13-3-4-14-20)25(23,24)18-11-9-17(21)10-12-18/h5-12,22H,3-4,13-14H2,1-2H3
InChIKeyBFPGIZHFYMJDGK-UHFFFAOYSA-N
XLogP4.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
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-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)benzene
CID 122677016
3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]pyrrolidine
CID 123886335
4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-1-methylcyclohexan-1-amine
CID 118209359
2-(4-fluorophenyl)propan-2-ol
CID 637733
1,1,1,3,3,3-hexafluoro-2-[4-[3-(4-fluorophenyl)sulfonyl-1-methylsulfonylpyrrolidin-3-yl]phenyl]propan-2-ol
CID 118217583
1-[1-(benzenesulfonyl)cyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 150543071
1-[(1S,3R)-1-(4-fluorophenyl)sulfonyl-3-methylcyclopentyl]-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 144882080
1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene
CID 155297823
(1-aminocyclopentyl)-[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118217589
3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzonitrile
CID 122679521
2-[4-[4-amino-1-(4-fluorophenyl)sulfonyl-4-methylcyclohexyl]phenyl]-3,3-difluoroprop-2-enoic acid
CID 174823027

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol (CID 174968414) is 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol is CC(C)(O)c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol?
The InChIKey is BFPGIZHFYMJDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO3S/c1-19(2,22)15-5-7-16(8-6-15)20(13-3-4-14-20)25(23,24)18-11-9-17(21)10-12-18/h5-12,22H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol?
2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol has a molecular weight of 362.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol is sourced from PubChem (CID 174968414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).