4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide

C14H20N2O5S2 — CID 139245096

IUPAC4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)C/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C14H20N2O5S2/c15-23(19,20)14-5-3-13(4-6-14)22(17,18)12-2-1-7-16-8-10-21-11-9-16/h1-6H,7-12H2,(H2,15,19,20)/b2-1+
InChIKeyHRNVUHTUHZHWGJ-OWOJBTEDSA-N
MW360.46 g/mol
LogP-0.00
Rot. Bonds6

About 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide

4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide (PubChem CID 139245096) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide
PubChem CID139245096
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)C/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C14H20N2O5S2/c15-23(19,20)14-5-3-13(4-6-14)22(17,18)12-2-1-7-16-8-10-21-11-9-16/h1-6H,7-12H2,(H2,15,19,20)/b2-1+
InChIKeyHRNVUHTUHZHWGJ-OWOJBTEDSA-N
XLogP-0.00
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide?
The IUPAC name of 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide (CID 139245096) is 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide?
The canonical SMILES for 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)C/C=C/CN2CCOCC2)cc1.
What is the InChIKey of 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide?
The InChIKey is HRNVUHTUHZHWGJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c15-23(19,20)14-5-3-13(4-6-14)22(17,18)12-2-1-7-16-8-10-21-11-9-16/h1-6H,7-12H2,(H2,15,19,20)/b2-1+.
What are the key properties of 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide?
4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide has a molecular weight of 360.46 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 139245096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).