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

C20H24FNO3S — CID 110643831

IUPAC2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(Cc2ccccc2)OCC1(C)C
InChIInChI=1S/C20H24FNO3S/c1-15-11-17(21)9-10-19(15)26(23,24)22-13-18(25-14-20(22,2)3)12-16-7-5-4-6-8-16/h4-11,18H,12-14H2,1-3H3
InChIKeyGBMJPTZUPLROEN-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.54
Rot. Bonds4

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

2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine (PubChem CID 110643831) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine
PubChem CID110643831
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(Cc2ccccc2)OCC1(C)C
InChIInChI=1S/C20H24FNO3S/c1-15-11-17(21)9-10-19(15)26(23,24)22-13-18(25-14-20(22,2)3)12-16-7-5-4-6-8-16/h4-11,18H,12-14H2,1-3H3
InChIKeyGBMJPTZUPLROEN-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.54
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-benzyl-5,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110643844
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110368983
2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid
CID 166289300
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110746745

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine?
The IUPAC name of 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine (CID 110643831) is 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine.
What is the SMILES notation for 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine?
The canonical SMILES for 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine is Cc1cc(F)ccc1S(=O)(=O)N1CC(Cc2ccccc2)OCC1(C)C.
What is the InChIKey of 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine?
The InChIKey is GBMJPTZUPLROEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-15-11-17(21)9-10-19(15)26(23,24)22-13-18(25-14-20(22,2)3)12-16-7-5-4-6-8-16/h4-11,18H,12-14H2,1-3H3.
What are the key properties of 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine?
2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine has a molecular weight of 377.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine is sourced from PubChem (CID 110643831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).