4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine

C18H19ClFNO2S — CID 164684729

IUPAC4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClFNO2S/c1-14-2-8-17(9-3-14)24(22,23)21-12-10-18(20,11-13-21)15-4-6-16(19)7-5-15/h2-9H,10-13H2,1H3
InChIKeyDWHADYJZPVJQIN-UHFFFAOYSA-N
MW367.87 g/mol
LogP4.30
Rot. Bonds3

About 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine

4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 164684729) has the molecular formula C18H19ClFNO2S and a molecular weight of 367.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID164684729
Molecular FormulaC18H19ClFNO2S
Molecular Weight367.87 g/mol
Exact Mass367.08
IUPAC Name4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClFNO2S/c1-14-2-8-17(9-3-14)24(22,23)21-12-10-18(20,11-13-21)15-4-6-16(19)7-5-15/h2-9H,10-13H2,1H3
InChIKeyDWHADYJZPVJQIN-UHFFFAOYSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine (CID 164684729) is 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is DWHADYJZPVJQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2S/c1-14-2-8-17(9-3-14)24(22,23)21-12-10-18(20,11-13-21)15-4-6-16(19)7-5-15/h2-9H,10-13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 367.87 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 164684729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).