1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine

C16H24FN2O2S+ — CID 7175888

IUPAC1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(C2CC[NH2+]CC2)CC1
InChIInChI=1S/C16H23FN2O2S/c17-15-1-3-16(4-2-15)22(20,21)19-11-7-14(8-12-19)13-5-9-18-10-6-13/h1-4,13-14,18H,5-12H2/p+1
InChIKeyOELFNTJUMBJDCR-UHFFFAOYSA-O
MW327.44 g/mol
LogP1.20
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine

1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine (PubChem CID 7175888) has the molecular formula C16H24FN2O2S+ and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
PubChem CID7175888
Molecular FormulaC16H24FN2O2S+
Molecular Weight327.44 g/mol
Exact Mass327.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(C2CC[NH2+]CC2)CC1
InChIInChI=1S/C16H23FN2O2S/c17-15-1-3-16(4-2-15)22(20,21)19-11-7-14(8-12-19)13-5-9-18-10-6-13/h1-4,13-14,18H,5-12H2/p+1
InChIKeyOELFNTJUMBJDCR-UHFFFAOYSA-O
XLogP1.20
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)sulfonylpiperazin-4-ium
CID 2063341
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
1-(4-fluorophenyl)sulfonylpiperidine-4-carbothioamide
CID 39426242
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 4742647
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine (CID 7175888) is 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine is O=S(=O)(c1ccc(F)cc1)N1CCC(C2CC[NH2+]CC2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine?
The InChIKey is OELFNTJUMBJDCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23FN2O2S/c17-15-1-3-16(4-2-15)22(20,21)19-11-7-14(8-12-19)13-5-9-18-10-6-13/h1-4,13-14,18H,5-12H2/p+1.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine?
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine has a molecular weight of 327.44 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine is sourced from PubChem (CID 7175888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).