4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine

C19H23NO4S — CID 110327242

IUPAC4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
SMILESCOc1ccc(C2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-4-9-18(12-15(14)2)25(21,22)20-10-11-24-19(13-20)16-5-7-17(23-3)8-6-16/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyOHNOBMIDFOWABG-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.07
Rot. Bonds4

About 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine

4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine (PubChem CID 110327242) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
PubChem CID110327242
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
SMILESCOc1ccc(C2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-4-9-18(12-15(14)2)25(21,22)20-10-11-24-19(13-20)16-5-7-17(23-3)8-6-16/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyOHNOBMIDFOWABG-UHFFFAOYSA-N
XLogP3.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 110327247
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327282
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
CID 25281418
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine (CID 110327242) is 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine is COc1ccc(C2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)cc1.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine?
The InChIKey is OHNOBMIDFOWABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-4-9-18(12-15(14)2)25(21,22)20-10-11-24-19(13-20)16-5-7-17(23-3)8-6-16/h4-9,12,19H,10-11,13H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine?
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine has a molecular weight of 361.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine is sourced from PubChem (CID 110327242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).