[2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone

C20H22FN3O5S — CID 91914066

IUPAC[2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccnc1OC1CCN(S(=O)(=O)c2cccc(F)c2)C1)N1CCOCC1
InChIInChI=1S/C20H22FN3O5S/c21-15-3-1-4-17(13-15)30(26,27)24-8-6-16(14-24)29-19-18(5-2-7-22-19)20(25)23-9-11-28-12-10-23/h1-5,7,13,16H,6,8-12,14H2
InChIKeyZWDALPWFVQZKCL-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.54
Rot. Bonds5

About [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone

[2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 91914066) has the molecular formula C20H22FN3O5S and a molecular weight of 435.48 g/mol. Its IUPAC name is [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID91914066
Molecular FormulaC20H22FN3O5S
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name[2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccnc1OC1CCN(S(=O)(=O)c2cccc(F)c2)C1)N1CCOCC1
InChIInChI=1S/C20H22FN3O5S/c21-15-3-1-4-17(13-15)30(26,27)24-8-6-16(14-24)29-19-18(5-2-7-22-19)20(25)23-9-11-28-12-10-23/h1-5,7,13,16H,6,8-12,14H2
InChIKeyZWDALPWFVQZKCL-UHFFFAOYSA-N
XLogP1.54
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone (CID 91914066) is [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cccnc1OC1CCN(S(=O)(=O)c2cccc(F)c2)C1)N1CCOCC1.
What is the InChIKey of [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ZWDALPWFVQZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O5S/c21-15-3-1-4-17(13-15)30(26,27)24-8-6-16(14-24)29-19-18(5-2-7-22-19)20(25)23-9-11-28-12-10-23/h1-5,7,13,16H,6,8-12,14H2.
What are the key properties of [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone?
[2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 435.48 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91914066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).