N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide

C15H17N3O6S — CID 8883872

IUPACN-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C15H17N3O6S/c1-3-17(4-2)25(22,23)12-7-5-6-11(10-12)16-15(19)13-8-9-14(24-13)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyVGQXLGFTYXSAEL-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.47
Rot. Bonds7

About N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide

N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 8883872) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID8883872
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C15H17N3O6S/c1-3-17(4-2)25(22,23)12-7-5-6-11(10-12)16-15(19)13-8-9-14(24-13)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyVGQXLGFTYXSAEL-UHFFFAOYSA-N
XLogP2.47
TPSA122.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
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-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
CID 17145961
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 17419678
5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
CID 17146702
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide
CID 166631934
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-[3-[3-(diethylsulfamoyl)anilino]-3-oxopropyl]-4-nitrobenzamide
CID 4850051

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide (CID 8883872) is N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is VGQXLGFTYXSAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-3-17(4-2)25(22,23)12-7-5-6-11(10-12)16-15(19)13-8-9-14(24-13)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide?
N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 8883872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).