1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine

C20H18BrClFN3O2S — CID 122594576

IUPAC1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cc(-c2ncc(-c3ccc(F)c(Br)c3)[nH]2)ccc1Cl)N1CCCCC1
InChIInChI=1S/C20H18BrClFN3O2S/c21-15-10-13(5-7-17(15)23)18-12-24-20(25-18)14-4-6-16(22)19(11-14)29(27,28)26-8-2-1-3-9-26/h4-7,10-12H,1-3,8-9H2,(H,24,25)
InChIKeyBUENYGXUDJDOIL-UHFFFAOYSA-N
MW498.81 g/mol
LogP5.47
Rot. Bonds4

About 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine

1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine (PubChem CID 122594576) has the molecular formula C20H18BrClFN3O2S and a molecular weight of 498.81 g/mol. Its IUPAC name is 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine
PubChem CID122594576
Molecular FormulaC20H18BrClFN3O2S
Molecular Weight498.81 g/mol
Exact Mass497.00
IUPAC Name1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cc(-c2ncc(-c3ccc(F)c(Br)c3)[nH]2)ccc1Cl)N1CCCCC1
InChIInChI=1S/C20H18BrClFN3O2S/c21-15-10-13(5-7-17(15)23)18-12-24-20(25-18)14-4-6-16(22)19(11-14)29(27,28)26-8-2-1-3-9-26/h4-7,10-12H,1-3,8-9H2,(H,24,25)
InChIKeyBUENYGXUDJDOIL-UHFFFAOYSA-N
XLogP5.47
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.81
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-one
CID 122594569
1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-3-ol
CID 122594660
(4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-4-ol
CID 122594731
[1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-yl] (2S)-2-aminopropanoate
CID 122594555
(3R,4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpyrrolidine-3,4-diol
CID 122594725
(3R,6S)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepane-3,6-diol
CID 122594773
(1R,5S,7R)-3-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonyl-3-azabicyclo[5.1.0]octan-5-ol
CID 122594575
5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide
CID 122596060
4-[2-[4-chloro-3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-1H-imidazol-5-yl]-2-fluorobenzonitrile
CID 122595847
1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122594630
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
methyl 2-[[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylamino]acetate
CID 122594655

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine?
The IUPAC name of 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine (CID 122594576) is 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine?
The canonical SMILES for 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine is O=S(=O)(c1cc(-c2ncc(-c3ccc(F)c(Br)c3)[nH]2)ccc1Cl)N1CCCCC1.
What is the InChIKey of 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine?
The InChIKey is BUENYGXUDJDOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClFN3O2S/c21-15-10-13(5-7-17(15)23)18-12-24-20(25-18)14-4-6-16(22)19(11-14)29(27,28)26-8-2-1-3-9-26/h4-7,10-12H,1-3,8-9H2,(H,24,25).
What are the key properties of 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine?
1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine has a molecular weight of 498.81 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine is sourced from PubChem (CID 122594576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).