4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide

C16H22FN3O3S — CID 51133844

IUPAC4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1
InChIInChI=1S/C16H22FN3O3S/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(21)19-9-11-20(12-10-19)24(18,22)23/h3-6H,1-2,7-12H2,(H2,18,22,23)
InChIKeyVUCAOEWJCIQHQI-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.99
Rot. Bonds3

About 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide

4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide (PubChem CID 51133844) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
PubChem CID51133844
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1
InChIInChI=1S/C16H22FN3O3S/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(21)19-9-11-20(12-10-19)24(18,22)23/h3-6H,1-2,7-12H2,(H2,18,22,23)
InChIKeyVUCAOEWJCIQHQI-UHFFFAOYSA-N
XLogP0.99
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
CID 46561290
[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763134
1-(4-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopentane-1-carboxamide
CID 75479820
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
1-[1-(4-fluorophenyl)cyclohexanecarbonyl]-1,4-diazepan-5-one
CID 56821181
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 36509634
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide (CID 51133844) is 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide?
The InChIKey is VUCAOEWJCIQHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(21)19-9-11-20(12-10-19)24(18,22)23/h3-6H,1-2,7-12H2,(H2,18,22,23).
What are the key properties of 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide?
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide has a molecular weight of 355.44 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 51133844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).