N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide

C12H10N4O6S — CID 45109608

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C12H10N4O6S/c13-23(20,21)10-4-1-8(2-5-10)12(17)15-14-7-9-3-6-11(22-9)16(18)19/h1-7H,(H,15,17)(H2,13,20,21)/b14-7+
InChIKeyYGTPBSPYHNYTIU-VGOFMYFVSA-N
MW338.30 g/mol
LogP0.60
Rot. Bonds5

About N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide (PubChem CID 45109608) has the molecular formula C12H10N4O6S and a molecular weight of 338.30 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide
PubChem CID45109608
Molecular FormulaC12H10N4O6S
Molecular Weight338.30 g/mol
Exact Mass338.03
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C12H10N4O6S/c13-23(20,21)10-4-1-8(2-5-10)12(17)15-14-7-9-3-6-11(22-9)16(18)19/h1-7H,(H,15,17)(H2,13,20,21)/b14-7+
InChIKeyYGTPBSPYHNYTIU-VGOFMYFVSA-N
XLogP0.60
TPSA157.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide (CID 45109608) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide?
The InChIKey is YGTPBSPYHNYTIU-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10N4O6S/c13-23(20,21)10-4-1-8(2-5-10)12(17)15-14-7-9-3-6-11(22-9)16(18)19/h1-7H,(H,15,17)(H2,13,20,21)/b14-7+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide has a molecular weight of 338.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide is sourced from PubChem (CID 45109608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).