N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

C11H9N3O5S — CID 3724990

IUPACN-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(C=NNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C11H9N3O5S/c15-14(16)11-7-6-9(19-11)8-12-13-20(17,18)10-4-2-1-3-5-10/h1-8,13H
InChIKeyFOWAFPJOQSNQGU-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.50
Rot. Bonds5

About N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 3724990) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
PubChem CID3724990
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC NameN-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(C=NNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C11H9N3O5S/c15-14(16)11-7-6-9(19-11)8-12-13-20(17,18)10-4-2-1-3-5-10/h1-8,13H
InChIKeyFOWAFPJOQSNQGU-UHFFFAOYSA-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-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (CID 3724990) is N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(C=NNS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is FOWAFPJOQSNQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S/c15-14(16)11-7-6-9(19-11)8-12-13-20(17,18)10-4-2-1-3-5-10/h1-8,13H.
What are the key properties of N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide 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-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3724990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).