[3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone

C16H22FN3O4S — CID 6498829

IUPAC[3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)C(C)N1C(=O)N1CCOCC1
InChIInChI=1S/C16H22FN3O4S/c1-12-11-19(25(22,23)15-5-3-14(17)4-6-15)13(2)20(12)16(21)18-7-9-24-10-8-18/h3-6,12-13H,7-11H2,1-2H3
InChIKeyWSBPIKKXKHDOFO-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.32
Rot. Bonds2

About [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone

[3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498829) has the molecular formula C16H22FN3O4S and a molecular weight of 371.43 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498829
Molecular FormulaC16H22FN3O4S
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name[3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)C(C)N1C(=O)N1CCOCC1
InChIInChI=1S/C16H22FN3O4S/c1-12-11-19(25(22,23)15-5-3-14(17)4-6-15)13(2)20(12)16(21)18-7-9-24-10-8-18/h3-6,12-13H,7-11H2,1-2H3
InChIKeyWSBPIKKXKHDOFO-UHFFFAOYSA-N
XLogP1.32
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498829) is [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone is CC1CN(S(=O)(=O)c2ccc(F)cc2)C(C)N1C(=O)N1CCOCC1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WSBPIKKXKHDOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S/c1-12-11-19(25(22,23)15-5-3-14(17)4-6-15)13(2)20(12)16(21)18-7-9-24-10-8-18/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 371.43 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonyl-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).