1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine

C19H20F3NO3S — CID 23607739

IUPAC1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-14-5-7-18(8-6-14)27(24,25)23-11-9-16(10-12-23)26-17-4-2-3-15(13-17)19(20,21)22/h2-8,13,16H,9-12H2,1H3
InChIKeyZWQJKXFTQNGKIC-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.25
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine

1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine (PubChem CID 23607739) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine
PubChem CID23607739
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-14-5-7-18(8-6-14)27(24,25)23-11-9-16(10-12-23)26-17-4-2-3-15(13-17)19(20,21)22/h2-8,13,16H,9-12H2,1H3
InChIKeyZWQJKXFTQNGKIC-UHFFFAOYSA-N
XLogP4.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine (CID 23607739) is 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine is Cc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is ZWQJKXFTQNGKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c1-14-5-7-18(8-6-14)27(24,25)23-11-9-16(10-12-23)26-17-4-2-3-15(13-17)19(20,21)22/h2-8,13,16H,9-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine?
1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 399.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 23607739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).