N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide

C16H11N3O4S — CID 11473296

IUPACN-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIInChI=1S/C16H11N3O4S/c17-18-19-24(21,22)13-8-6-11(7-9-13)14-10-23-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyGFLWYIFUNHQCDP-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.15
Rot. Bonds4

About N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide

N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide (PubChem CID 11473296) has the molecular formula C16H11N3O4S and a molecular weight of 341.35 g/mol. Its IUPAC name is N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide
PubChem CID11473296
Molecular FormulaC16H11N3O4S
Molecular Weight341.35 g/mol
Exact Mass341.05
IUPAC NameN-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIInChI=1S/C16H11N3O4S/c17-18-19-24(21,22)13-8-6-11(7-9-13)14-10-23-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyGFLWYIFUNHQCDP-UHFFFAOYSA-N
XLogP3.15
TPSA109.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide?
The IUPAC name of N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide (CID 11473296) is N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide?
The canonical SMILES for N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.
What is the InChIKey of N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide?
The InChIKey is GFLWYIFUNHQCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4S/c17-18-19-24(21,22)13-8-6-11(7-9-13)14-10-23-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide?
N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide has a molecular weight of 341.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide is sourced from PubChem (CID 11473296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).