4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine

C14H19F2NO4S — CID 128975324

IUPAC4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOCC1CN(S(=O)(=O)c2cc(F)ccc2F)CC(C)(C)O1
InChIInChI=1S/C14H19F2NO4S/c1-14(2)9-17(7-11(21-14)8-20-3)22(18,19)13-6-10(15)4-5-12(13)16/h4-6,11H,7-9H2,1-3H3
InChIKeyHRCGGHPQMDAORY-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.78
Rot. Bonds4

About 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine

4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 128975324) has the molecular formula C14H19F2NO4S and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID128975324
Molecular FormulaC14H19F2NO4S
Molecular Weight335.37 g/mol
Exact Mass335.10
IUPAC Name4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOCC1CN(S(=O)(=O)c2cc(F)ccc2F)CC(C)(C)O1
InChIInChI=1S/C14H19F2NO4S/c1-14(2)9-17(7-11(21-14)8-20-3)22(18,19)13-6-10(15)4-5-12(13)16/h4-6,11H,7-9H2,1-3H3
InChIKeyHRCGGHPQMDAORY-UHFFFAOYSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345493
(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129484478
4-(4-bromo-2-fluorophenyl)sulfonyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781861
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
6-(bromomethyl)-4-(3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781838
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082
(3S,4S)-1-(2,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203511
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014
[4-(2,4-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782183
[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782154
2-fluoro-5-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzonitrile
CID 129482269

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 128975324) is 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine is COCC1CN(S(=O)(=O)c2cc(F)ccc2F)CC(C)(C)O1.
What is the InChIKey of 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is HRCGGHPQMDAORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO4S/c1-14(2)9-17(7-11(21-14)8-20-3)22(18,19)13-6-10(15)4-5-12(13)16/h4-6,11H,7-9H2,1-3H3.
What are the key properties of 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine?
4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 335.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 128975324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).