2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine

C19H22FNO3S — CID 110368983

IUPAC2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
SMILESCc1ccccc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C
InChIInChI=1S/C19H22FNO3S/c1-14-8-4-7-11-18(14)25(22,23)21-12-17(24-13-19(21,2)3)15-9-5-6-10-16(15)20/h4-11,17H,12-13H2,1-3H3
InChIKeyYJOOTZIFQVEKJD-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.67
Rot. Bonds3

About 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine

2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine (PubChem CID 110368983) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
PubChem CID110368983
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
SMILESCc1ccccc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C
InChIInChI=1S/C19H22FNO3S/c1-14-8-4-7-11-18(14)25(22,23)21-12-17(24-13-19(21,2)3)15-9-5-6-10-16(15)20/h4-11,17H,12-13H2,1-3H3
InChIKeyYJOOTZIFQVEKJD-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368961
2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110368964
4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368984
1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
CID 110368988
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740928
2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110643831
2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
CID 110327583
2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
CID 110368946
N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110368936
5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110327395

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine (CID 110368983) is 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine is Cc1ccccc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C.
What is the InChIKey of 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine?
The InChIKey is YJOOTZIFQVEKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-14-8-4-7-11-18(14)25(22,23)21-12-17(24-13-19(21,2)3)15-9-5-6-10-16(15)20/h4-11,17H,12-13H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine?
2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine has a molecular weight of 363.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 110368983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).