[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C22H24F2N2O3S — CID 55341520

IUPAC[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C22H24F2N2O3S/c23-18-7-5-6-17(16-18)22(10-3-4-11-22)21(27)25-12-14-26(15-13-25)30(28,29)20-9-2-1-8-19(20)24/h1-2,5-9,16H,3-4,10-15H2
InChIKeyPYAWHXPTTBBNFK-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.31
Rot. Bonds4

About [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55341520) has the molecular formula C22H24F2N2O3S and a molecular weight of 434.51 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID55341520
Molecular FormulaC22H24F2N2O3S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C22H24F2N2O3S/c23-18-7-5-6-17(16-18)22(10-3-4-11-22)21(27)25-12-14-26(15-13-25)30(28,29)20-9-2-1-8-19(20)24/h1-2,5-9,16H,3-4,10-15H2
InChIKeyPYAWHXPTTBBNFK-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide
CID 55599943
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 55599636
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
CID 46561290
(E)-3-(3-fluorophenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 6214197
1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 9453348
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 55341520) is [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is PYAWHXPTTBBNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3S/c23-18-7-5-6-17(16-18)22(10-3-4-11-22)21(27)25-12-14-26(15-13-25)30(28,29)20-9-2-1-8-19(20)24/h1-2,5-9,16H,3-4,10-15H2.
What are the key properties of [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 434.51 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55341520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).