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

C12H16FNO2S — CID 2843204

IUPAC1-(4-fluorophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyUZYVFJORRRPCSC-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.25
Rot. Bonds2

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

1-(4-fluorophenyl)sulfonyl-4-methylpiperidine (PubChem CID 2843204) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-methylpiperidine
PubChem CID2843204
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyUZYVFJORRRPCSC-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine (CID 2843204) is 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine?
The InChIKey is UZYVFJORRRPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-methylpiperidine?
1-(4-fluorophenyl)sulfonyl-4-methylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 2.25, 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-4-methylpiperidine is sourced from PubChem (CID 2843204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).