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

C19H20ClN5O5S — CID 23133566

IUPAC5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2ccncc2)N1
InChIInChI=1S/C19H20ClN5O5S/c20-14-1-2-16(22-11-14)30-15-5-9-25(10-6-15)31(28,29)12-19(13-3-7-21-8-4-13)17(26)23-18(27)24-19/h1-4,7-8,11,15H,5-6,9-10,12H2,(H2,23,24,26,27)
InChIKeyCUMKILVWSBVBNL-UHFFFAOYSA-N
MW465.92 g/mol
LogP1.04
Rot. Bonds6

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

5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione (PubChem CID 23133566) has the molecular formula C19H20ClN5O5S and a molecular weight of 465.92 g/mol. Its IUPAC name is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione
PubChem CID23133566
Molecular FormulaC19H20ClN5O5S
Molecular Weight465.92 g/mol
Exact Mass465.09
IUPAC Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2ccncc2)N1
InChIInChI=1S/C19H20ClN5O5S/c20-14-1-2-16(22-11-14)30-15-5-9-25(10-6-15)31(28,29)12-19(13-3-7-21-8-4-13)17(26)23-18(27)24-19/h1-4,7-8,11,15H,5-6,9-10,12H2,(H2,23,24,26,27)
InChIKeyCUMKILVWSBVBNL-UHFFFAOYSA-N
XLogP1.04
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-pyridin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione (CID 23133566) is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione is O=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2ccncc2)N1.
What is the InChIKey of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione?
The InChIKey is CUMKILVWSBVBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O5S/c20-14-1-2-16(22-11-14)30-15-5-9-25(10-6-15)31(28,29)12-19(13-3-7-21-8-4-13)17(26)23-18(27)24-19/h1-4,7-8,11,15H,5-6,9-10,12H2,(H2,23,24,26,27).
What are the key properties of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione?
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione has a molecular weight of 465.92 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 23133566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).