N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide

C11H9N3O5S — CID 5337685

IUPACN-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C11H9N3O5S/c15-14(16)9-3-5-11(6-4-9)20(17,18)13-12-8-10-2-1-7-19-10/h1-8,13H/b12-8+
InChIKeyNAOKPVCZGFCKJD-XYOKQWHBSA-N
MW295.28 g/mol
LogP1.50
Rot. Bonds5

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

N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide (PubChem CID 5337685) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide
PubChem CID5337685
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C11H9N3O5S/c15-14(16)9-3-5-11(6-4-9)20(17,18)13-12-8-10-2-1-7-19-10/h1-8,13H/b12-8+
InChIKeyNAOKPVCZGFCKJD-XYOKQWHBSA-N
XLogP1.50
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide (CID 5337685) is N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide?
The InChIKey is NAOKPVCZGFCKJD-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H9N3O5S/c15-14(16)9-3-5-11(6-4-9)20(17,18)13-12-8-10-2-1-7-19-10/h1-8,13H/b12-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide?
N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide has a molecular weight of 295.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 5337685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).