1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium

C15H22FN2O2S+ — CID 4742647

IUPAC1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C15H21FN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12H2/p+1
InChIKeyZWEGQMMLRRJMEX-UHFFFAOYSA-O
MW313.42 g/mol
LogP0.66
Rot. Bonds3

About 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium

1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium (PubChem CID 4742647) has the molecular formula C15H22FN2O2S+ and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
PubChem CID4742647
Molecular FormulaC15H22FN2O2S+
Molecular Weight313.42 g/mol
Exact Mass313.14
IUPAC Name1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C15H21FN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12H2/p+1
InChIKeyZWEGQMMLRRJMEX-UHFFFAOYSA-O
XLogP0.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
(8aR)-2-(4-chlorophenyl)sulfonyl-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium
CID 11922111
(8aR)-2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium
CID 11922540
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
1-(4-fluorophenyl)sulfonylpiperazin-4-ium
CID 2063341
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8688412
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]azepan-2-one
CID 42930236
1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium
CID 4756116
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium (CID 4742647) is 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium is O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium?
The InChIKey is ZWEGQMMLRRJMEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21FN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12H2/p+1.
What are the key properties of 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium?
1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium has a molecular weight of 313.42 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 4742647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).