1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene

C24H23FO3S — CID 146026050

IUPAC1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(OCc3ccccc3)cc2)CCCC1
InChIInChI=1S/C24H23FO3S/c25-21-10-14-23(15-11-21)29(26,27)24(16-4-5-17-24)20-8-12-22(13-9-20)28-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2
InChIKeyIXMWLTXJOWOLAW-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.65
Rot. Bonds6

About 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene

1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene (PubChem CID 146026050) has the molecular formula C24H23FO3S and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene
PubChem CID146026050
Molecular FormulaC24H23FO3S
Molecular Weight410.51 g/mol
Exact Mass410.14
IUPAC Name1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(OCc3ccccc3)cc2)CCCC1
InChIInChI=1S/C24H23FO3S/c25-21-10-14-23(15-11-21)29(26,27)24(16-4-5-17-24)20-8-12-22(13-9-20)28-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2
InChIKeyIXMWLTXJOWOLAW-UHFFFAOYSA-N
XLogP5.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene (CID 146026050) is 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(OCc3ccccc3)cc2)CCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene?
The InChIKey is IXMWLTXJOWOLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO3S/c25-21-10-14-23(15-11-21)29(26,27)24(16-4-5-17-24)20-8-12-22(13-9-20)28-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene?
1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene has a molecular weight of 410.51 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 146026050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).