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

C12H15F2NO2S — CID 67987622

IUPAC4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine
SMILESCN1CCC(F)(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H15F2NO2S/c1-15-8-6-12(14,7-9-15)18(16,17)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3
InChIKeyIKCSUDQTYULMMU-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.99
Rot. Bonds2

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

4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine (PubChem CID 67987622) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine
PubChem CID67987622
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine
SMILESCN1CCC(F)(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H15F2NO2S/c1-15-8-6-12(14,7-9-15)18(16,17)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3
InChIKeyIKCSUDQTYULMMU-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine?
The IUPAC name of 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine (CID 67987622) is 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine.
What is the SMILES notation for 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine?
The canonical SMILES for 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine is CN1CCC(F)(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine?
The InChIKey is IKCSUDQTYULMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-15-8-6-12(14,7-9-15)18(16,17)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine?
4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine has a molecular weight of 275.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-fluorophenyl)sulfonyl-1-methylpiperidine is sourced from PubChem (CID 67987622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).