4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine

C18H20FNO3S — CID 140979084

IUPAC4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine
SMILESCN1CCC(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C18H20FNO3S/c1-20-12-10-18(11-13-20)24(21,22)17-8-6-16(7-9-17)23-15-4-2-14(19)3-5-15/h2-9,18H,10-13H2,1H3
InChIKeyWNQWIWWMZPMRGM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.49
Rot. Bonds4

About 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine

4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine (PubChem CID 140979084) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine
PubChem CID140979084
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine
SMILESCN1CCC(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C18H20FNO3S/c1-20-12-10-18(11-13-20)24(21,22)17-8-6-16(7-9-17)23-15-4-2-14(19)3-5-15/h2-9,18H,10-13H2,1H3
InChIKeyWNQWIWWMZPMRGM-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-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 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine?
The IUPAC name of 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine (CID 140979084) is 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine?
The canonical SMILES for 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine is CN1CCC(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine?
The InChIKey is WNQWIWWMZPMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-20-12-10-18(11-13-20)24(21,22)17-8-6-16(7-9-17)23-15-4-2-14(19)3-5-15/h2-9,18H,10-13H2,1H3.
What are the key properties of 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine?
4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine has a molecular weight of 349.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine is sourced from PubChem (CID 140979084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).