5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide

C14H15N3O6S — CID 17146702

IUPAC5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H15N3O6S/c1-2-9-15-24(21,22)11-5-3-10(4-6-11)16-14(18)12-7-8-13(23-12)17(19)20/h3-8,15H,2,9H2,1H3,(H,16,18)
InChIKeyMYQRWLSSTDSJRO-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.13
Rot. Bonds7

About 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide

5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 17146702) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID17146702
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC Name5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H15N3O6S/c1-2-9-15-24(21,22)11-5-3-10(4-6-11)16-14(18)12-7-8-13(23-12)17(19)20/h3-8,15H,2,9H2,1H3,(H,16,18)
InChIKeyMYQRWLSSTDSJRO-UHFFFAOYSA-N
XLogP2.13
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.13
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'}

Analyze 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-[4-(butylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 5052998
5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
CID 17070827
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 8883872
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide
CID 166631934
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-nitrofuran-2-carboxamide
CID 24692016
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide
CID 155681473

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide (CID 17146702) is 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide is CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is MYQRWLSSTDSJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c1-2-9-15-24(21,22)11-5-3-10(4-6-11)16-14(18)12-7-8-13(23-12)17(19)20/h3-8,15H,2,9H2,1H3,(H,16,18).
What are the key properties of 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide?
5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17146702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).