[1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone

C18H24ClNO5S — CID 91918279

IUPAC[1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H24ClNO5S/c1-24-12-13-25-15-6-10-20(11-7-15)17(21)18(8-9-18)26(22,23)16-4-2-14(19)3-5-16/h2-5,15H,6-13H2,1H3
InChIKeyWURZKMNVBZSREZ-UHFFFAOYSA-N
MW401.91 g/mol
LogP2.30
Rot. Bonds7

About [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone

[1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (PubChem CID 91918279) has the molecular formula C18H24ClNO5S and a molecular weight of 401.91 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
PubChem CID91918279
Molecular FormulaC18H24ClNO5S
Molecular Weight401.91 g/mol
Exact Mass401.11
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H24ClNO5S/c1-24-12-13-25-15-6-10-20(11-7-15)17(21)18(8-9-18)26(22,23)16-4-2-14(19)3-5-16/h2-5,15H,6-13H2,1H3
InChIKeyWURZKMNVBZSREZ-UHFFFAOYSA-N
XLogP2.30
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (CID 91918279) is [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is COCCOC1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is WURZKMNVBZSREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO5S/c1-24-12-13-25-15-6-10-20(11-7-15)17(21)18(8-9-18)26(22,23)16-4-2-14(19)3-5-16/h2-5,15H,6-13H2,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
[1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 401.91 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91918279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).