1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone

C20H20F2O3S — CID 58344186

IUPAC1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone
SMILESCC(=O)C1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1
InChIInChI=1S/C20H20F2O3S/c1-13(23)16-3-2-14(10-16)12-26(24,25)18-7-4-15(5-8-18)19-9-6-17(21)11-20(19)22/h4-9,11,14,16H,2-3,10,12H2,1H3
InChIKeyRSXQKOSEAUXEQR-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.41
Rot. Bonds5

About 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone

1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone (PubChem CID 58344186) has the molecular formula C20H20F2O3S and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone
PubChem CID58344186
Molecular FormulaC20H20F2O3S
Molecular Weight378.44 g/mol
Exact Mass378.11
IUPAC Name1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone
SMILESCC(=O)C1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1
InChIInChI=1S/C20H20F2O3S/c1-13(23)16-3-2-14(10-16)12-26(24,25)18-7-4-15(5-8-18)19-9-6-17(21)11-20(19)22/h4-9,11,14,16H,2-3,10,12H2,1H3
InChIKeyRSXQKOSEAUXEQR-UHFFFAOYSA-N
XLogP4.41
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone?
The IUPAC name of 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone (CID 58344186) is 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone?
The canonical SMILES for 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone is CC(=O)C1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1.
What is the InChIKey of 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone?
The InChIKey is RSXQKOSEAUXEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O3S/c1-13(23)16-3-2-14(10-16)12-26(24,25)18-7-4-15(5-8-18)19-9-6-17(21)11-20(19)22/h4-9,11,14,16H,2-3,10,12H2,1H3.
What are the key properties of 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone?
1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone has a molecular weight of 378.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]ethanone is sourced from PubChem (CID 58344186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).