4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium

C12H17FNO3S+ — CID 6934253

IUPAC4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium
SMILESO=S(=O)(CC[NH+]1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2/p+1
InChIKeyAPGADONFSDPIKA-UHFFFAOYSA-O
MW274.34 g/mol
LogP-0.49
Rot. Bonds4

About 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium

4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium (PubChem CID 6934253) has the molecular formula C12H17FNO3S+ and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium
PubChem CID6934253
Molecular FormulaC12H17FNO3S+
Molecular Weight274.34 g/mol
Exact Mass274.09
IUPAC Name4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium
SMILESO=S(=O)(CC[NH+]1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2/p+1
InChIKeyAPGADONFSDPIKA-UHFFFAOYSA-O
XLogP-0.49
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
2-[(4-Fluorophenyl)sulfonyl]-1-morpholino-1-ethanone
CID 1486407
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
2-[(4-Fluorophenyl)sulfinyl]-1-(4-morpholinyl)ethanone
CID 3347399
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875
Sulfone, 4-fluorophenyl 2-morpholinoethyl, hydrochloride
CID 214241
4-(4-Fluorobenzenesulfonyl)piperidine
CID 11032089
2-Morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate
CID 2469421
2-fluoro-N-(4-morpholinobut-2-yn-1-yl)benzenesulfonamide
CID 71792747
N-ethylmorpholinium 2-(phenylsulfanyl)1,1,2,2-tetrafluoroethanesulfonate
CID 134716394

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium (CID 6934253) is 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium is O=S(=O)(CC[NH+]1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium?
The InChIKey is APGADONFSDPIKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16FNO3S/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2/p+1.
What are the key properties of 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium?
4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium has a molecular weight of 274.34 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfonylethyl]morpholin-4-ium is sourced from PubChem (CID 6934253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).