4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine

C13H18FNO3S — CID 107326726

IUPAC4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C13H18FNO3S/c1-9-6-12(14)7-10(2)13(9)19(16,17)15-4-5-18-8-11(15)3/h6-7,11H,4-5,8H2,1-3H3
InChIKeyHJRCVSXEQMWYBV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.85
Rot. Bonds2

About 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine

4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine (PubChem CID 107326726) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
PubChem CID107326726
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C13H18FNO3S/c1-9-6-12(14)7-10(2)13(9)19(16,17)15-4-5-18-8-11(15)3/h6-7,11H,4-5,8H2,1-3H3
InChIKeyHJRCVSXEQMWYBV-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-isocyanatomorpholine
CID 107327705
2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773727
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylazepane
CID 107327191
3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111021
3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773824
2,5-dimethyl-4-(3-methylmorpholin-4-yl)sulfonylfuran-3-carboxylic acid
CID 43542014
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 107327036
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid
CID 106773984
4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773826
2-methyl-4-(3-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 106833027
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine?
The IUPAC name of 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine (CID 107326726) is 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine.
What is the SMILES notation for 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine?
The canonical SMILES for 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine is Cc1cc(F)cc(C)c1S(=O)(=O)N1CCOCC1C.
What is the InChIKey of 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine?
The InChIKey is HJRCVSXEQMWYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9-6-12(14)7-10(2)13(9)19(16,17)15-4-5-18-8-11(15)3/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine?
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine has a molecular weight of 287.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine is sourced from PubChem (CID 107326726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).