2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

C17H23FN2O3S — CID 2664137

IUPAC2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O3S/c18-15-5-7-16(8-6-15)24(22,23)20-11-9-19(10-12-20)17(21)13-14-3-1-2-4-14/h5-8,14H,1-4,9-13H2
InChIKeyAUYCRNSOLYRAMB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.24
Rot. Bonds4

About 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 2664137) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID2664137
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O3S/c18-15-5-7-16(8-6-15)24(22,23)20-11-9-19(10-12-20)17(21)13-14-3-1-2-4-14/h5-8,14H,1-4,9-13H2
InChIKeyAUYCRNSOLYRAMB-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 2664137) is 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is AUYCRNSOLYRAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-15-5-7-16(8-6-15)24(22,23)20-11-9-19(10-12-20)17(21)13-14-3-1-2-4-14/h5-8,14H,1-4,9-13H2.
What are the key properties of 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 2664137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).