4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine

C19H23NO5S — CID 110369024

IUPAC4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C19H23NO5S/c1-14-12-20(13-18(25-14)15-7-5-4-6-8-15)26(21,22)19-10-9-16(23-2)11-17(19)24-3/h4-11,14,18H,12-13H2,1-3H3
InChIKeyQAFPMVZNWGXGLY-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.85
Rot. Bonds5

About 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine

4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine (PubChem CID 110369024) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine
PubChem CID110369024
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C19H23NO5S/c1-14-12-20(13-18(25-14)15-7-5-4-6-8-15)26(21,22)19-10-9-16(23-2)11-17(19)24-3/h4-11,14,18H,12-13H2,1-3H3
InChIKeyQAFPMVZNWGXGLY-UHFFFAOYSA-N
XLogP2.85
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
CID 110740481
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369131
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895
(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
CID 95220723
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931832

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine (CID 110369024) is 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine is COc1ccc(S(=O)(=O)N2CC(C)OC(c3ccccc3)C2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine?
The InChIKey is QAFPMVZNWGXGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-14-12-20(13-18(25-14)15-7-5-4-6-8-15)26(21,22)19-10-9-16(23-2)11-17(19)24-3/h4-11,14,18H,12-13H2,1-3H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine?
4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine has a molecular weight of 377.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine is sourced from PubChem (CID 110369024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).