N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide

C17H19N3O3S — CID 6906008

IUPACN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-24(22,17-4-2-1-3-5-17)19-18-14-15-6-8-16(9-7-15)20-10-12-23-13-11-20/h1-9,14,19H,10-13H2/b18-14+
InChIKeyGURFEJXMHQFUDX-NBVRZTHBSA-N
MW345.42 g/mol
LogP1.84
Rot. Bonds5

About N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 6906008) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide
PubChem CID6906008
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-24(22,17-4-2-1-3-5-17)19-18-14-15-6-8-16(9-7-15)20-10-12-23-13-11-20/h1-9,14,19H,10-13H2/b18-14+
InChIKeyGURFEJXMHQFUDX-NBVRZTHBSA-N
XLogP1.84
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide (CID 6906008) is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is GURFEJXMHQFUDX-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-24(22,17-4-2-1-3-5-17)19-18-14-15-6-8-16(9-7-15)20-10-12-23-13-11-20/h1-9,14,19H,10-13H2/b18-14+.
What are the key properties of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6906008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).