(2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C18H20FN3O4S — CID 8891717

IUPAC(2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H20FN3O4S/c1-2-26-17-16(7-4-8-20-17)18(23)21-9-11-22(12-10-21)27(24,25)15-6-3-5-14(19)13-15/h3-8,13H,2,9-12H2,1H3
InChIKeyYXHYXKPGADQXIG-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.77
Rot. Bonds5

About (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 8891717) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID8891717
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name(2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H20FN3O4S/c1-2-26-17-16(7-4-8-20-17)18(23)21-9-11-22(12-10-21)27(24,25)15-6-3-5-14(19)13-15/h3-8,13H,2,9-12H2,1H3
InChIKeyYXHYXKPGADQXIG-UHFFFAOYSA-N
XLogP1.77
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 8891717) is (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is YXHYXKPGADQXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-2-26-17-16(7-4-8-20-17)18(23)21-9-11-22(12-10-21)27(24,25)15-6-3-5-14(19)13-15/h3-8,13H,2,9-12H2,1H3.
What are the key properties of (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 393.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 8891717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).