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

C16H21FN2O3S — CID 4820506

IUPACcyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O3S/c17-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13-3-1-2-4-13/h5-8,13H,1-4,9-12H2
InChIKeyMNDUWFBLCMZSIO-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.85
Rot. Bonds3

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

cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 4820506) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID4820506
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Namecyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O3S/c17-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13-3-1-2-4-13/h5-8,13H,1-4,9-12H2
InChIKeyMNDUWFBLCMZSIO-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
2-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4845766
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 8933910
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
Cyclobutyl 4-[(4-fluorophenyl)sulfonyl]piperazinyl ketone
CID 2664136
Cyclohexanecarboxylic acid [1-(4-fluoro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 3218790
[1-(4-Fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 3572352
Azepan-1-yl-[1-(benzenesulfonyl)piperidin-3-yl]methanone
CID 3735201

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 4820506) is cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MNDUWFBLCMZSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13-3-1-2-4-13/h5-8,13H,1-4,9-12H2.
What are the key properties of cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 4820506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).