4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine

C19H21F2NO3S — CID 110368961

IUPAC4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C
InChIInChI=1S/C19H21F2NO3S/c1-13-10-14(20)8-9-18(13)26(23,24)22-11-17(25-12-19(22,2)3)15-6-4-5-7-16(15)21/h4-10,17H,11-12H2,1-3H3
InChIKeyHMCFUMLEKBVTQU-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.81
Rot. Bonds3

About 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine

4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine (PubChem CID 110368961) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
PubChem CID110368961
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC Name4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C
InChIInChI=1S/C19H21F2NO3S/c1-13-10-14(20)8-9-18(13)26(23,24)22-11-17(25-12-19(22,2)3)15-6-4-5-7-16(15)21/h4-10,17H,11-12H2,1-3H3
InChIKeyHMCFUMLEKBVTQU-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110368983
2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110368964
2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110643831
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-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
4-(3-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327595
2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
CID 110327583
4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327570
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
2-(3-fluorophenyl)-5,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)morpholine
CID 126822821

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine (CID 110368961) is 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine is Cc1cc(F)ccc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine?
The InChIKey is HMCFUMLEKBVTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c1-13-10-14(20)8-9-18(13)26(23,24)22-11-17(25-12-19(22,2)3)15-6-4-5-7-16(15)21/h4-10,17H,11-12H2,1-3H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine?
4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine has a molecular weight of 381.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine is sourced from PubChem (CID 110368961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).