5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C20H20ClFN4O5S — CID 23133515

IUPAC5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2ccc(F)cc2)N1
InChIInChI=1S/C20H20ClFN4O5S/c21-14-3-6-17(23-11-14)31-16-7-9-26(10-8-16)32(29,30)12-20(18(27)24-19(28)25-20)13-1-4-15(22)5-2-13/h1-6,11,16H,7-10,12H2,(H2,24,25,27,28)
InChIKeyNFEKFUGTEUXBLX-UHFFFAOYSA-N
MW482.92 g/mol
LogP1.78
Rot. Bonds6

About 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 23133515) has the molecular formula C20H20ClFN4O5S and a molecular weight of 482.92 g/mol. Its IUPAC name is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID23133515
Molecular FormulaC20H20ClFN4O5S
Molecular Weight482.92 g/mol
Exact Mass482.08
IUPAC Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2ccc(F)cc2)N1
InChIInChI=1S/C20H20ClFN4O5S/c21-14-3-6-17(23-11-14)31-16-7-9-26(10-8-16)32(29,30)12-20(18(27)24-19(28)25-20)13-1-4-15(22)5-2-13/h1-6,11,16H,7-10,12H2,(H2,24,25,27,28)
InChIKeyNFEKFUGTEUXBLX-UHFFFAOYSA-N
XLogP1.78
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 23133515) is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is NFEKFUGTEUXBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O5S/c21-14-3-6-17(23-11-14)31-16-7-9-26(10-8-16)32(29,30)12-20(18(27)24-19(28)25-20)13-1-4-15(22)5-2-13/h1-6,11,16H,7-10,12H2,(H2,24,25,27,28).
What are the key properties of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 482.92 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 23133515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).