[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone

C21H23FN2O3S — CID 46561290

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C21H23FN2O3S/c22-18-9-7-17(8-10-18)21(11-4-12-21)20(25)23-13-15-24(16-14-23)28(26,27)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
InChIKeyZVTDVHGCEZVBCU-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.78
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone

[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone (PubChem CID 46561290) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
PubChem CID46561290
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C21H23FN2O3S/c22-18-9-7-17(8-10-18)21(11-4-12-21)20(25)23-13-15-24(16-14-23)28(26,27)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
InChIKeyZVTDVHGCEZVBCU-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone with MolForge

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Related Compounds

1-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
CID 55434824
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
CID 51133844
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 36509634
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 26203857
(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625
(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 119265347
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone (CID 46561290) is [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone is O=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone?
The InChIKey is ZVTDVHGCEZVBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c22-18-9-7-17(8-10-18)21(11-4-12-21)20(25)23-13-15-24(16-14-23)28(26,27)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone has a molecular weight of 402.49 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone is sourced from PubChem (CID 46561290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).