1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine

C16H16F3NO3S2 — CID 50846963

IUPAC1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine
SMILESO=S(=O)(c1cccs1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H16F3NO3S2/c17-16(18,19)12-3-1-4-14(11-12)23-13-6-8-20(9-7-13)25(21,22)15-5-2-10-24-15/h1-5,10-11,13H,6-9H2
InChIKeyMGFHFRRTZJIERM-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.00
Rot. Bonds4

About 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine

1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine (PubChem CID 50846963) has the molecular formula C16H16F3NO3S2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine
PubChem CID50846963
Molecular FormulaC16H16F3NO3S2
Molecular Weight391.44 g/mol
Exact Mass391.05
IUPAC Name1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine
SMILESO=S(=O)(c1cccs1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H16F3NO3S2/c17-16(18,19)12-3-1-4-14(11-12)23-13-6-8-20(9-7-13)25(21,22)15-5-2-10-24-15/h1-5,10-11,13H,6-9H2
InChIKeyMGFHFRRTZJIERM-UHFFFAOYSA-N
XLogP4.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine (CID 50846963) is 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine is O=S(=O)(c1cccs1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is MGFHFRRTZJIERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S2/c17-16(18,19)12-3-1-4-14(11-12)23-13-6-8-20(9-7-13)25(21,22)15-5-2-10-24-15/h1-5,10-11,13H,6-9H2.
What are the key properties of 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine?
1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 391.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 50846963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).