5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide

C7H9N3O6S — CID 61129714

IUPAC5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H9N3O6S/c8-17(14,15)4-3-9-7(11)5-1-2-6(16-5)10(12)13/h1-2H,3-4H2,(H,9,11)(H2,8,14,15)
InChIKeyIVYXDVIHBCWFNG-UHFFFAOYSA-N
MW263.23 g/mol
LogP-0.79
Rot. Bonds5

About 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide

5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide (PubChem CID 61129714) has the molecular formula C7H9N3O6S and a molecular weight of 263.23 g/mol. Its IUPAC name is 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
PubChem CID61129714
Molecular FormulaC7H9N3O6S
Molecular Weight263.23 g/mol
Exact Mass263.02
IUPAC Name5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H9N3O6S/c8-17(14,15)4-3-9-7(11)5-1-2-6(16-5)10(12)13/h1-2H,3-4H2,(H,9,11)(H2,8,14,15)
InChIKeyIVYXDVIHBCWFNG-UHFFFAOYSA-N
XLogP-0.79
TPSA145.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
2-hydroxy-4-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 114006197
N-[(2-bromophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146681
5-nitro-N-[2-(4-nitroanilino)ethyl]furan-2-carboxamide
CID 26445857
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide
CID 41349840

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide (CID 61129714) is 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide is NS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide?
The InChIKey is IVYXDVIHBCWFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O6S/c8-17(14,15)4-3-9-7(11)5-1-2-6(16-5)10(12)13/h1-2H,3-4H2,(H,9,11)(H2,8,14,15).
What are the key properties of 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide?
5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide has a molecular weight of 263.23 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide is sourced from PubChem (CID 61129714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).