4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine

C18H20FNO5S — CID 110326792

IUPAC4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C18H20FNO5S/c1-23-15-7-8-16(24-2)18(11-15)26(21,22)20-9-10-25-17(12-20)13-3-5-14(19)6-4-13/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyLSXCRFWJRGBFKS-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.61
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine

4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine (PubChem CID 110326792) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
PubChem CID110326792
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Name4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C18H20FNO5S/c1-23-15-7-8-16(24-2)18(11-15)26(21,22)20-9-10-25-17(12-20)13-3-5-14(19)6-4-13/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyLSXCRFWJRGBFKS-UHFFFAOYSA-N
XLogP2.61
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398431
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
2-(4-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110326817
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369131
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 125023339

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine (CID 110326792) is 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine is COc1ccc(OC)c(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine?
The InChIKey is LSXCRFWJRGBFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-23-15-7-8-16(24-2)18(11-15)26(21,22)20-9-10-25-17(12-20)13-3-5-14(19)6-4-13/h3-8,11,17H,9-10,12H2,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine?
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine has a molecular weight of 381.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 110326792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).