4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide

C13H14N2O4S — CID 6902371

IUPAC4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C13H14N2O4S/c1-2-18-11-5-7-13(8-6-11)20(16,17)15-14-10-12-4-3-9-19-12/h3-10,15H,2H2,1H3/b14-10+
InChIKeyQPDANNMVSULVFS-GXDHUFHOSA-N
MW294.33 g/mol
LogP1.99
Rot. Bonds6

About 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide

4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 6902371) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide
PubChem CID6902371
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C13H14N2O4S/c1-2-18-11-5-7-13(8-6-11)20(16,17)15-14-10-12-4-3-9-19-12/h3-10,15H,2H2,1H3/b14-10+
InChIKeyQPDANNMVSULVFS-GXDHUFHOSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.99
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 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide (CID 6902371) is 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is QPDANNMVSULVFS-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-2-18-11-5-7-13(8-6-11)20(16,17)15-14-10-12-4-3-9-19-12/h3-10,15H,2H2,1H3/b14-10+.
What are the key properties of 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide?
4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 6902371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).