1-(4-fluorophenyl)sulfonyl-2-methylpiperidine

C12H16FNO2S — CID 2842620

IUPAC1-(4-fluorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-10-4-2-3-9-14(10)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9H2,1H3
InChIKeyRNEDBSRDLTUBMM-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.39
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine

1-(4-fluorophenyl)sulfonyl-2-methylpiperidine (PubChem CID 2842620) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-methylpiperidine
PubChem CID2842620
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-10-4-2-3-9-14(10)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9H2,1H3
InChIKeyRNEDBSRDLTUBMM-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine (CID 2842620) is 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine?
The InChIKey is RNEDBSRDLTUBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-10-4-2-3-9-14(10)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine?
1-(4-fluorophenyl)sulfonyl-2-methylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 2842620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).