1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine

C15H18FN3O2S — CID 127048499

IUPAC1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C15H18FN3O2S/c16-14-3-5-15(6-4-14)22(20,21)19-8-1-2-13(11-19)10-18-9-7-17-12-18/h3-7,9,12-13H,1-2,8,10-11H2
InChIKeyFYBWFMYYTNFROS-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.12
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine

1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine (PubChem CID 127048499) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
PubChem CID127048499
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C15H18FN3O2S/c16-14-3-5-15(6-4-14)22(20,21)19-8-1-2-13(11-19)10-18-9-7-17-12-18/h3-7,9,12-13H,1-2,8,10-11H2
InChIKeyFYBWFMYYTNFROS-UHFFFAOYSA-N
XLogP2.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine (CID 127048499) is 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine is O=S(=O)(c1ccc(F)cc1)N1CCCC(Cn2ccnc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The InChIKey is FYBWFMYYTNFROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c16-14-3-5-15(6-4-14)22(20,21)19-8-1-2-13(11-19)10-18-9-7-17-12-18/h3-7,9,12-13H,1-2,8,10-11H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine has a molecular weight of 323.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 127048499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).