2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone

C15H17ClN4O4S — CID 23133473

IUPAC2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone
SMILESO=C(CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)c1cnc[nH]1
InChIInChI=1S/C15H17ClN4O4S/c16-11-1-2-15(18-7-11)24-12-3-5-20(6-4-12)25(22,23)9-14(21)13-8-17-10-19-13/h1-2,7-8,10,12H,3-6,9H2,(H,17,19)
InChIKeyZUZNHHREGDQHCO-UHFFFAOYSA-N
MW384.85 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone

2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone (PubChem CID 23133473) has the molecular formula C15H17ClN4O4S and a molecular weight of 384.85 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone
PubChem CID23133473
Molecular FormulaC15H17ClN4O4S
Molecular Weight384.85 g/mol
Exact Mass384.07
IUPAC Name2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone
SMILESO=C(CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)c1cnc[nH]1
InChIInChI=1S/C15H17ClN4O4S/c16-11-1-2-15(18-7-11)24-12-3-5-20(6-4-12)25(22,23)9-14(21)13-8-17-10-19-13/h1-2,7-8,10,12H,3-6,9H2,(H,17,19)
InChIKeyZUZNHHREGDQHCO-UHFFFAOYSA-N
XLogP1.51
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone?
The IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone (CID 23133473) is 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone.
What is the SMILES notation for 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone?
The canonical SMILES for 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone is O=C(CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)c1cnc[nH]1.
What is the InChIKey of 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone?
The InChIKey is ZUZNHHREGDQHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4S/c16-11-1-2-15(18-7-11)24-12-3-5-20(6-4-12)25(22,23)9-14(21)13-8-17-10-19-13/h1-2,7-8,10,12H,3-6,9H2,(H,17,19).
What are the key properties of 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone?
2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone has a molecular weight of 384.85 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone is sourced from PubChem (CID 23133473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).