1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine

C14H17F2N3O2S — CID 53072012

IUPAC1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN=C1N1CCCCC1
InChIInChI=1S/C14H17F2N3O2S/c15-11-4-5-13(12(16)10-11)22(20,21)19-9-6-17-14(19)18-7-2-1-3-8-18/h4-5,10H,1-3,6-9H2
InChIKeyBXNOQWFEBMHNKI-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.81
Rot. Bonds2

About 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine

1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine (PubChem CID 53072012) has the molecular formula C14H17F2N3O2S and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
PubChem CID53072012
Molecular FormulaC14H17F2N3O2S
Molecular Weight329.37 g/mol
Exact Mass329.10
IUPAC Name1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN=C1N1CCCCC1
InChIInChI=1S/C14H17F2N3O2S/c15-11-4-5-13(12(16)10-11)22(20,21)19-9-6-17-14(19)18-7-2-1-3-8-18/h4-5,10H,1-3,6-9H2
InChIKeyBXNOQWFEBMHNKI-UHFFFAOYSA-N
XLogP1.81
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The IUPAC name of 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine (CID 53072012) is 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine is O=S(=O)(c1ccc(F)cc1F)N1CCN=C1N1CCCCC1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The InChIKey is BXNOQWFEBMHNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2S/c15-11-4-5-13(12(16)10-11)22(20,21)19-9-6-17-14(19)18-7-2-1-3-8-18/h4-5,10H,1-3,6-9H2.
What are the key properties of 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine has a molecular weight of 329.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine is sourced from PubChem (CID 53072012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).