2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine

C20H24FNO3S — CID 42949942

IUPAC2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C20H24FNO3S/c1-13-11-14(2)16(4)20(15(13)3)26(23,24)22-9-10-25-19(12-22)17-5-7-18(21)8-6-17/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyIQLKSZKKSLPIFZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.82
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine

2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine (PubChem CID 42949942) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
PubChem CID42949942
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C20H24FNO3S/c1-13-11-14(2)16(4)20(15(13)3)26(23,24)22-9-10-25-19(12-22)17-5-7-18(21)8-6-17/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyIQLKSZKKSLPIFZ-UHFFFAOYSA-N
XLogP3.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine (CID 42949942) is 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1C.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine?
The InChIKey is IQLKSZKKSLPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-13-11-14(2)16(4)20(15(13)3)26(23,24)22-9-10-25-19(12-22)17-5-7-18(21)8-6-17/h5-8,11,19H,9-10,12H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine?
2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine has a molecular weight of 377.48 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 42949942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).