4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine

C20H23NO5S — CID 110364061

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)cc1
InChIInChI=1S/C20H23NO5S/c1-2-15-3-5-16(6-4-15)20-14-21(9-10-24-20)27(22,23)17-7-8-18-19(13-17)26-12-11-25-18/h3-8,13,20H,2,9-12,14H2,1H3
InChIKeySTDGJVKMQYNMLE-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.78
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine (PubChem CID 110364061) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
PubChem CID110364061
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)cc1
InChIInChI=1S/C20H23NO5S/c1-2-15-3-5-16(6-4-15)20-14-21(9-10-24-20)27(22,23)17-7-8-18-19(13-17)26-12-11-25-18/h3-8,13,20H,2,9-12,14H2,1H3
InChIKeySTDGJVKMQYNMLE-UHFFFAOYSA-N
XLogP2.78
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine
CID 110326793
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine
CID 110364088
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
CID 110327031
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-ethylmorpholine
CID 42947765
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575832
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine (CID 110364061) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine is CCc1ccc(C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine?
The InChIKey is STDGJVKMQYNMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-2-15-3-5-16(6-4-15)20-14-21(9-10-24-20)27(22,23)17-7-8-18-19(13-17)26-12-11-25-18/h3-8,13,20H,2,9-12,14H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine has a molecular weight of 389.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine is sourced from PubChem (CID 110364061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).