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

C14H18FN3O2S — CID 53071992

IUPAC1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN=C1N1CCCCC1
InChIInChI=1S/C14H18FN3O2S/c15-12-4-6-13(7-5-12)21(19,20)18-11-8-16-14(18)17-9-2-1-3-10-17/h4-7H,1-3,8-11H2
InChIKeyJRCLTQBZQRKSQX-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.67
Rot. Bonds2

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

1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine (PubChem CID 53071992) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
PubChem CID53071992
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN=C1N1CCCCC1
InChIInChI=1S/C14H18FN3O2S/c15-12-4-6-13(7-5-12)21(19,20)18-11-8-16-14(18)17-9-2-1-3-10-17/h4-7H,1-3,8-11H2
InChIKeyJRCLTQBZQRKSQX-UHFFFAOYSA-N
XLogP1.67
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine (CID 53071992) is 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine is O=S(=O)(c1ccc(F)cc1)N1CCN=C1N1CCCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The InChIKey is JRCLTQBZQRKSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c15-12-4-6-13(7-5-12)21(19,20)18-11-8-16-14(18)17-9-2-1-3-10-17/h4-7H,1-3,8-11H2.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine has a molecular weight of 311.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine is sourced from PubChem (CID 53071992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).