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

C11H8FN3O5S — CID 25237323

IUPAC4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C11H8FN3O5S/c12-8-1-4-10(5-2-8)21(18,19)14-13-7-9-3-6-11(20-9)15(16)17/h1-7,14H/b13-7-
InChIKeyJVHDYNCSHJVUTP-QPEQYQDCSA-N
MW313.27 g/mol
LogP1.64
Rot. Bonds5

About 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 25237323) has the molecular formula C11H8FN3O5S and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
PubChem CID25237323
Molecular FormulaC11H8FN3O5S
Molecular Weight313.27 g/mol
Exact Mass313.02
IUPAC Name4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C11H8FN3O5S/c12-8-1-4-10(5-2-8)21(18,19)14-13-7-9-3-6-11(20-9)15(16)17/h1-7,14H/b13-7-
InChIKeyJVHDYNCSHJVUTP-QPEQYQDCSA-N
XLogP1.64
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.64
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 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (CID 25237323) is 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is JVHDYNCSHJVUTP-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H8FN3O5S/c12-8-1-4-10(5-2-8)21(18,19)14-13-7-9-3-6-11(20-9)15(16)17/h1-7,14H/b13-7-.
What are the key properties of 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 313.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 25237323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).