2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

C13H13N3O7S — CID 24818563

IUPAC2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=Cc2ccc([N+](=O)[O-])o2)c(OC)c1
InChIInChI=1S/C13H13N3O7S/c1-21-9-3-5-12(11(7-9)22-2)24(19,20)15-14-8-10-4-6-13(23-10)16(17)18/h3-8,15H,1-2H3
InChIKeyPRAICIKSJNKOEG-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.52
Rot. Bonds7

About 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 24818563) has the molecular formula C13H13N3O7S and a molecular weight of 355.33 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
PubChem CID24818563
Molecular FormulaC13H13N3O7S
Molecular Weight355.33 g/mol
Exact Mass355.05
IUPAC Name2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=Cc2ccc([N+](=O)[O-])o2)c(OC)c1
InChIInChI=1S/C13H13N3O7S/c1-21-9-3-5-12(11(7-9)22-2)24(19,20)15-14-8-10-4-6-13(23-10)16(17)18/h3-8,15H,1-2H3
InChIKeyPRAICIKSJNKOEG-UHFFFAOYSA-N
XLogP1.52
TPSA133.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (CID 24818563) is 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)NN=Cc2ccc([N+](=O)[O-])o2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is PRAICIKSJNKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O7S/c1-21-9-3-5-12(11(7-9)22-2)24(19,20)15-14-8-10-4-6-13(23-10)16(17)18/h3-8,15H,1-2H3.
What are the key properties of 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 355.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 24818563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).