4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

C19H23NO4S — CID 110369123

IUPAC4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-4-6-16(7-5-14)19-13-20(12-15(2)24-19)25(21,22)18-10-8-17(23-3)9-11-18/h4-11,15,19H,12-13H2,1-3H3
InChIKeyKQGMJQCABOPVGJ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.15
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (PubChem CID 110369123) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
PubChem CID110369123
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-4-6-16(7-5-14)19-13-20(12-15(2)24-19)25(21,22)18-10-8-17(23-3)9-11-18/h4-11,15,19H,12-13H2,1-3H3
InChIKeyKQGMJQCABOPVGJ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (CID 110369123) is 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is COc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The InChIKey is KQGMJQCABOPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-4-6-16(7-5-14)19-13-20(12-15(2)24-19)25(21,22)18-10-8-17(23-3)9-11-18/h4-11,15,19H,12-13H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine has a molecular weight of 361.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is sourced from PubChem (CID 110369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).