1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one

C20H21FN2O4S — CID 42949954

IUPAC1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H21FN2O4S/c21-16-5-3-15(4-6-16)19-14-22(12-13-27-19)28(25,26)18-9-7-17(8-10-18)23-11-1-2-20(23)24/h3-10,19H,1-2,11-14H2
InChIKeyVSSQUWJWLFZJSK-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.71
Rot. Bonds4

About 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one

1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one (PubChem CID 42949954) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one
PubChem CID42949954
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H21FN2O4S/c21-16-5-3-15(4-6-16)19-14-22(12-13-27-19)28(25,26)18-9-7-17(8-10-18)23-11-1-2-20(23)24/h3-10,19H,1-2,11-14H2
InChIKeyVSSQUWJWLFZJSK-UHFFFAOYSA-N
XLogP2.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one (CID 42949954) is 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is VSSQUWJWLFZJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c21-16-5-3-15(4-6-16)19-14-22(12-13-27-19)28(25,26)18-9-7-17(8-10-18)23-11-1-2-20(23)24/h3-10,19H,1-2,11-14H2.
What are the key properties of 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one?
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 404.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 42949954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).