4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine

C14H20FNO3S — CID 107326755

IUPAC4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H20FNO3S/c1-10-7-12(15)8-11(2)13(10)20(17,18)16-5-6-19-14(3,4)9-16/h7-8H,5-6,9H2,1-4H3
InChIKeySXEMUCPOTHFDGS-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.24
Rot. Bonds2

About 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine

4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine (PubChem CID 107326755) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine
PubChem CID107326755
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H20FNO3S/c1-10-7-12(15)8-11(2)13(10)20(17,18)16-5-6-19-14(3,4)9-16/h7-8H,5-6,9H2,1-4H3
InChIKeySXEMUCPOTHFDGS-UHFFFAOYSA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline
CID 107325666
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80645839
3,5-dibromo-2-(2,2-dimethylmorpholin-4-yl)sulfonylaniline
CID 43592467
5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline
CID 71921344
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-fluorobenzoic acid
CID 79177245
4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile
CID 107327297
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
2-bromo-3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077319
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline
CID 43592447
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
CID 64607202
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine?
The IUPAC name of 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine (CID 107326755) is 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine?
The canonical SMILES for 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine is Cc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine?
The InChIKey is SXEMUCPOTHFDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-7-12(15)8-11(2)13(10)20(17,18)16-5-6-19-14(3,4)9-16/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine?
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine has a molecular weight of 301.38 g/mol, XLogP of 2.24, 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-2,2-dimethylmorpholine is sourced from PubChem (CID 107326755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).