4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C16H16F3NO2S2 — CID 71787036

IUPAC4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H16F3NO2S2/c17-16(18,19)14-2-1-3-15(10-14)24(21,22)20-7-4-12(5-8-20)13-6-9-23-11-13/h1-3,6,9-12H,4-5,7-8H2
InChIKeyPQCSKXDECLDUON-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.34
Rot. Bonds3

About 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 71787036) has the molecular formula C16H16F3NO2S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID71787036
Molecular FormulaC16H16F3NO2S2
Molecular Weight375.44 g/mol
Exact Mass375.06
IUPAC Name4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H16F3NO2S2/c17-16(18,19)14-2-1-3-15(10-14)24(21,22)20-7-4-12(5-8-20)13-6-9-23-11-13/h1-3,6,9-12H,4-5,7-8H2
InChIKeyPQCSKXDECLDUON-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522429
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
azepan-1-yl-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 26500737
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
cyclopropyl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925087
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine
CID 71807083
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 115745003
1-cyclohexyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 25069817
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902768

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 71787036) is 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is PQCSKXDECLDUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S2/c17-16(18,19)14-2-1-3-15(10-14)24(21,22)20-7-4-12(5-8-20)13-6-9-23-11-13/h1-3,6,9-12H,4-5,7-8H2.
What are the key properties of 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 375.44 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 71787036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).