4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine

C14H20N2O6S2 — CID 1079028

IUPAC4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C14H20N2O6S2/c17-23(18,15-4-8-21-9-5-15)13-2-1-3-14(12-13)24(19,20)16-6-10-22-11-7-16/h1-3,12H,4-11H2
InChIKeyZXMFTUSLJWDEHB-UHFFFAOYSA-N
MW376.46 g/mol
LogP-0.27
Rot. Bonds4

About 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine

4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine (PubChem CID 1079028) has the molecular formula C14H20N2O6S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine
PubChem CID1079028
Molecular FormulaC14H20N2O6S2
Molecular Weight376.46 g/mol
Exact Mass376.08
IUPAC Name4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C14H20N2O6S2/c17-23(18,15-4-8-21-9-5-15)13-2-1-3-14(12-13)24(19,20)16-6-10-22-11-7-16/h1-3,12H,4-11H2
InChIKeyZXMFTUSLJWDEHB-UHFFFAOYSA-N
XLogP-0.27
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine (CID 1079028) is 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine is O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1.
What is the InChIKey of 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine?
The InChIKey is ZXMFTUSLJWDEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S2/c17-23(18,15-4-8-21-9-5-15)13-2-1-3-14(12-13)24(19,20)16-6-10-22-11-7-16/h1-3,12H,4-11H2.
What are the key properties of 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine?
4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine has a molecular weight of 376.46 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylsulfonylphenyl)sulfonylmorpholine is sourced from PubChem (CID 1079028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).