1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine

C15H15F2NO2S2 — CID 71787023

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C15H15F2NO2S2/c16-13-2-1-3-14(17)15(13)22(19,20)18-7-4-11(5-8-18)12-6-9-21-10-12/h1-3,6,9-11H,4-5,7-8H2
InChIKeyJCIOUTVHQVRVNI-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.59
Rot. Bonds3

About 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine

1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine (PubChem CID 71787023) has the molecular formula C15H15F2NO2S2 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine
PubChem CID71787023
Molecular FormulaC15H15F2NO2S2
Molecular Weight343.42 g/mol
Exact Mass343.05
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C15H15F2NO2S2/c16-13-2-1-3-14(17)15(13)22(19,20)18-7-4-11(5-8-18)12-6-9-21-10-12/h1-3,6,9-11H,4-5,7-8H2
InChIKeyJCIOUTVHQVRVNI-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine (CID 71787023) is 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine is O=S(=O)(c1c(F)cccc1F)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The InChIKey is JCIOUTVHQVRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S2/c16-13-2-1-3-14(17)15(13)22(19,20)18-7-4-11(5-8-18)12-6-9-21-10-12/h1-3,6,9-11H,4-5,7-8H2.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine?
1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine has a molecular weight of 343.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-thiophen-3-ylpiperidine is sourced from PubChem (CID 71787023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).