[3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone

C15H20FN3O4S — CID 6498822

IUPAC[3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)CN1C(=O)N1CCOCC1
InChIInChI=1S/C15H20FN3O4S/c1-12-10-18(24(21,22)14-4-2-13(16)3-5-14)11-19(12)15(20)17-6-8-23-9-7-17/h2-5,12H,6-11H2,1H3
InChIKeyGTKNVNXSXIFVTE-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.93
Rot. Bonds2

About [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone

[3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498822) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498822
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name[3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)CN1C(=O)N1CCOCC1
InChIInChI=1S/C15H20FN3O4S/c1-12-10-18(24(21,22)14-4-2-13(16)3-5-14)11-19(12)15(20)17-6-8-23-9-7-17/h2-5,12H,6-11H2,1H3
InChIKeyGTKNVNXSXIFVTE-UHFFFAOYSA-N
XLogP0.93
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-{2-Oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl}morpholine
CID 747981
[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1094976
N-Ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2989778
[5-Methyl-3-(phenylsulfonyl)imidazolidin-1-yl](morpholin-4-yl)methanone
CID 6498818
(3-Benzenesulfonyl-imidazolidin-1-yl)-morpholin-4-yl-methanone
CID 656022
(5-Methyl-3-{[3-(trifluoromethyl)phenyl]sulfonyl}imidazolidin-1-yl)(morpholin-4-yl)methanone
CID 6498823
{2,5-Dimethyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498825
[3-(4-Chloro-benzenesulfonyl)-2-methyl-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 6498827
[2-Methyl-3-(3-trifluoromethyl-benzenesulfonyl)-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 6498830
[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 645069
N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide
CID 2059172
{2-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 3241896

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498822) is [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone is CC1CN(S(=O)(=O)c2ccc(F)cc2)CN1C(=O)N1CCOCC1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GTKNVNXSXIFVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c1-12-10-18(24(21,22)14-4-2-13(16)3-5-14)11-19(12)15(20)17-6-8-23-9-7-17/h2-5,12H,6-11H2,1H3.
What are the key properties of [3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-fluorophenyl)sulfonyl-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 357.41 g/mol, XLogP of 0.93, 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-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).