1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine

C20H20FN3O2S — CID 44565608

IUPAC1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C20H20FN3O2S/c21-18-5-1-15(2-6-18)16-3-7-19(8-4-16)27(25,26)24-13-9-17(10-14-24)20-22-11-12-23-20/h1-8,11-12,17H,9-10,13-14H2,(H,22,23)
InChIKeyLPLUQDBXZIJXRF-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine

1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine (PubChem CID 44565608) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine
PubChem CID44565608
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C20H20FN3O2S/c21-18-5-1-15(2-6-18)16-3-7-19(8-4-16)27(25,26)24-13-9-17(10-14-24)20-22-11-12-23-20/h1-8,11-12,17H,9-10,13-14H2,(H,22,23)
InChIKeyLPLUQDBXZIJXRF-UHFFFAOYSA-N
XLogP3.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine (CID 44565608) is 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine is O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine?
The InChIKey is LPLUQDBXZIJXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c21-18-5-1-15(2-6-18)16-3-7-19(8-4-16)27(25,26)24-13-9-17(10-14-24)20-22-11-12-23-20/h1-8,11-12,17H,9-10,13-14H2,(H,22,23).
What are the key properties of 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine?
1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine has a molecular weight of 385.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 44565608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).