4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine

C20H22N2O7S2 — CID 2925137

IUPAC4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2c1)N1CCOCC1
InChIInChI=1S/C20H22N2O7S2/c23-30(24,21-5-9-27-10-6-21)15-1-3-19-17(13-15)18-14-16(2-4-20(18)29-19)31(25,26)22-7-11-28-12-8-22/h1-4,13-14H,5-12H2
InChIKeyNNZVRQJOFIEGTO-UHFFFAOYSA-N
MW466.54 g/mol
LogP1.63
Rot. Bonds4

About 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine

4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine (PubChem CID 2925137) has the molecular formula C20H22N2O7S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine
PubChem CID2925137
Molecular FormulaC20H22N2O7S2
Molecular Weight466.54 g/mol
Exact Mass466.09
IUPAC Name4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2c1)N1CCOCC1
InChIInChI=1S/C20H22N2O7S2/c23-30(24,21-5-9-27-10-6-21)15-1-3-19-17(13-15)18-14-16(2-4-20(18)29-19)31(25,26)22-7-11-28-12-8-22/h1-4,13-14H,5-12H2
InChIKeyNNZVRQJOFIEGTO-UHFFFAOYSA-N
XLogP1.63
TPSA106.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine?
The IUPAC name of 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine (CID 2925137) is 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine?
The canonical SMILES for 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine is O=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2c1)N1CCOCC1.
What is the InChIKey of 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine?
The InChIKey is NNZVRQJOFIEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S2/c23-30(24,21-5-9-27-10-6-21)15-1-3-19-17(13-15)18-14-16(2-4-20(18)29-19)31(25,26)22-7-11-28-12-8-22/h1-4,13-14H,5-12H2.
What are the key properties of 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine?
4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine has a molecular weight of 466.54 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-morpholin-4-ylsulfonyldibenzofuran-2-yl)sulfonylmorpholine is sourced from PubChem (CID 2925137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).