4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine

C28H36N4O13S4 — CID 124779699

IUPAC4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1cc(S(=O)(=O)N2CCOCC2)c2oc3c(S(=O)(=O)N4CCOCC4)cc(S(=O)(=O)N4CCOCC4)cc3c2c1)N1CCOCC1
InChIInChI=1S/C28H36N4O13S4/c33-46(34,29-1-9-41-10-2-29)21-17-23-24-18-22(47(35,36)30-3-11-42-12-4-30)20-26(49(39,40)32-7-15-44-16-8-32)28(24)45-27(23)25(19-21)48(37,38)31-5-13-43-14-6-31/h17-20H,1-16H2
InChIKeyQJZIYSNBIRMTKU-UHFFFAOYSA-N
MW764.88 g/mol
LogP-0.33
Rot. Bonds8

About 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine

4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine (PubChem CID 124779699) has the molecular formula C28H36N4O13S4 and a molecular weight of 764.88 g/mol. Its IUPAC name is 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine
PubChem CID124779699
Molecular FormulaC28H36N4O13S4
Molecular Weight764.88 g/mol
Exact Mass764.12
IUPAC Name4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1cc(S(=O)(=O)N2CCOCC2)c2oc3c(S(=O)(=O)N4CCOCC4)cc(S(=O)(=O)N4CCOCC4)cc3c2c1)N1CCOCC1
InChIInChI=1S/C28H36N4O13S4/c33-46(34,29-1-9-41-10-2-29)21-17-23-24-18-22(47(35,36)30-3-11-42-12-4-30)20-26(49(39,40)32-7-15-44-16-8-32)28(24)45-27(23)25(19-21)48(37,38)31-5-13-43-14-6-31/h17-20H,1-16H2
InChIKeyQJZIYSNBIRMTKU-UHFFFAOYSA-N
XLogP-0.33
TPSA199.58 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.88
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

4-methyl-7-morpholin-4-ylsulfonyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
CID 5300960
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
CID 48944322
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylmorpholine
CID 1097196
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541

Frequently Asked Questions

What is the IUPAC name of 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine (CID 124779699) is 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine is O=S(=O)(c1cc(S(=O)(=O)N2CCOCC2)c2oc3c(S(=O)(=O)N4CCOCC4)cc(S(=O)(=O)N4CCOCC4)cc3c2c1)N1CCOCC1.
What is the InChIKey of 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine?
The InChIKey is QJZIYSNBIRMTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O13S4/c33-46(34,29-1-9-41-10-2-29)21-17-23-24-18-22(47(35,36)30-3-11-42-12-4-30)20-26(49(39,40)32-7-15-44-16-8-32)28(24)45-27(23)25(19-21)48(37,38)31-5-13-43-14-6-31/h17-20H,1-16H2.
What are the key properties of 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine?
4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine has a molecular weight of 764.88 g/mol, XLogP of -0.33, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6,8-tris(morpholin-4-ylsulfonyl)dibenzofuran-2-yl]sulfonylmorpholine is sourced from PubChem (CID 124779699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).