4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine

C15H20F2N2O3S — CID 46390375

IUPAC4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-12-1-2-15(14(17)11-12)23(20,21)19-5-3-13(4-6-19)18-7-9-22-10-8-18/h1-2,11,13H,3-10H2
InChIKeyVHKALWVMLMUEAI-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.45
Rot. Bonds3

About 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine

4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine (PubChem CID 46390375) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine
PubChem CID46390375
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-12-1-2-15(14(17)11-12)23(20,21)19-5-3-13(4-6-19)18-7-9-22-10-8-18/h1-2,11,13H,3-10H2
InChIKeyVHKALWVMLMUEAI-UHFFFAOYSA-N
XLogP1.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
1-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627871
4-[1-(Benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 660754
4-[3-(Piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456422
4-((2-Fluorophenyl)sulfonyl)morpholine
CID 697731
4-((4-Fluorophenyl)sulfonyl)morpholine
CID 755377
4-[3-(2-Methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3214675
4-[4-(2,6-Dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3226866
1'-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-[1,4']bipiperidinyl
CID 654106
4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715057
3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57400351
4-(3,4-Difluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 3495349

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine (CID 46390375) is 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine is O=S(=O)(c1ccc(F)cc1F)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine?
The InChIKey is VHKALWVMLMUEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c16-12-1-2-15(14(17)11-12)23(20,21)19-5-3-13(4-6-19)18-7-9-22-10-8-18/h1-2,11,13H,3-10H2.
What are the key properties of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine?
4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine has a molecular weight of 346.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 46390375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).