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

C15H19FN2O4S — CID 134373745

IUPAC[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O4S/c16-12-1-3-13(4-2-12)23(20,21)14-5-6-18(11-14)15(19)17-7-9-22-10-8-17/h1-4,14H,5-11H2
InChIKeyGTQKHGSWVVHNSW-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.13
Rot. Bonds2

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

[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 134373745) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID134373745
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O4S/c16-12-1-3-13(4-2-12)23(20,21)14-5-6-18(11-14)15(19)17-7-9-22-10-8-17/h1-4,14H,5-11H2
InChIKeyGTQKHGSWVVHNSW-UHFFFAOYSA-N
XLogP1.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 134373745) is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GTQKHGSWVVHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c16-12-1-3-13(4-2-12)23(20,21)14-5-6-18(11-14)15(19)17-7-9-22-10-8-17/h1-4,14H,5-11H2.
What are the key properties of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 342.39 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134373745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).