N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide

C11H9N3O7S — CID 3648622

IUPACN-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C11H9N3O7S/c12-22(19,20)6-1-2-8(15)7(5-6)13-11(16)9-3-4-10(21-9)14(17)18/h1-5,15H,(H,13,16)(H2,12,19,20)
InChIKeyMBTQOIIKKSIKEJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP0.79
Rot. Bonds4

About N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide

N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 3648622) has the molecular formula C11H9N3O7S and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID3648622
Molecular FormulaC11H9N3O7S
Molecular Weight327.27 g/mol
Exact Mass327.02
IUPAC NameN-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C11H9N3O7S/c12-22(19,20)6-1-2-8(15)7(5-6)13-11(16)9-3-4-10(21-9)14(17)18/h1-5,15H,(H,13,16)(H2,12,19,20)
InChIKeyMBTQOIIKKSIKEJ-UHFFFAOYSA-N
XLogP0.79
TPSA165.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide (CID 3648622) is N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide is NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is MBTQOIIKKSIKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O7S/c12-22(19,20)6-1-2-8(15)7(5-6)13-11(16)9-3-4-10(21-9)14(17)18/h1-5,15H,(H,13,16)(H2,12,19,20).
What are the key properties of N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide?
N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3648622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).