4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine

C19H23NO4S — CID 110327245

IUPAC4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
SMILESCCc1ccc(S(=O)(=O)N2CCOC(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C19H23NO4S/c1-3-15-4-10-18(11-5-15)25(21,22)20-12-13-24-19(14-20)16-6-8-17(23-2)9-7-16/h4-11,19H,3,12-14H2,1-2H3
InChIKeyGYRBYXQZSGTTPM-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.02
Rot. Bonds5

About 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine

4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine (PubChem CID 110327245) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine.

Molecular Properties

Compound Name4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
PubChem CID110327245
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
SMILESCCc1ccc(S(=O)(=O)N2CCOC(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C19H23NO4S/c1-3-15-4-10-18(11-5-15)25(21,22)20-12-13-24-19(14-20)16-6-8-17(23-2)9-7-16/h4-11,19H,3,12-14H2,1-2H3
InChIKeyGYRBYXQZSGTTPM-UHFFFAOYSA-N
XLogP3.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine?
The IUPAC name of 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine (CID 110327245) is 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine.
What is the SMILES notation for 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine?
The canonical SMILES for 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine is CCc1ccc(S(=O)(=O)N2CCOC(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine?
The InChIKey is GYRBYXQZSGTTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-15-4-10-18(11-5-15)25(21,22)20-12-13-24-19(14-20)16-6-8-17(23-2)9-7-16/h4-11,19H,3,12-14H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine?
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine has a molecular weight of 361.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine is sourced from PubChem (CID 110327245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).