1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea

C20H23ClFN3O3S — CID 50822666

IUPAC1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
SMILESO=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClFN3O3S/c21-16-1-5-18(6-2-16)24-20(26)23-12-9-15-10-13-25(14-11-15)29(27,28)19-7-3-17(22)4-8-19/h1-8,15H,9-14H2,(H2,23,24,26)
InChIKeyQHGACMKIMZXNBE-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.09
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea

1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea (PubChem CID 50822666) has the molecular formula C20H23ClFN3O3S and a molecular weight of 439.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
PubChem CID50822666
Molecular FormulaC20H23ClFN3O3S
Molecular Weight439.94 g/mol
Exact Mass439.11
IUPAC Name1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
SMILESO=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClFN3O3S/c21-16-1-5-18(6-2-16)24-20(26)23-12-9-15-10-13-25(14-11-15)29(27,28)19-7-3-17(22)4-8-19/h1-8,15H,9-14H2,(H2,23,24,26)
InChIKeyQHGACMKIMZXNBE-UHFFFAOYSA-N
XLogP4.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea (CID 50822666) is 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea is O=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea?
The InChIKey is QHGACMKIMZXNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O3S/c21-16-1-5-18(6-2-16)24-20(26)23-12-9-15-10-13-25(14-11-15)29(27,28)19-7-3-17(22)4-8-19/h1-8,15H,9-14H2,(H2,23,24,26).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea?
1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea has a molecular weight of 439.94 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea is sourced from PubChem (CID 50822666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).