5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide

C16H17N3O6S — CID 9415121

IUPAC5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H17N3O6S/c20-16(14-8-9-15(25-14)19(21)22)17-12-4-6-13(7-5-12)26(23,24)18-10-2-1-3-11-18/h4-9H,1-3,10-11H2,(H,17,20)
InChIKeyGACBQZROQAGODN-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.61
Rot. Bonds5

About 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide

5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide (PubChem CID 9415121) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
PubChem CID9415121
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H17N3O6S/c20-16(14-8-9-15(25-14)19(21)22)17-12-4-6-13(7-5-12)26(23,24)18-10-2-1-3-11-18/h4-9H,1-3,10-11H2,(H,17,20)
InChIKeyGACBQZROQAGODN-UHFFFAOYSA-N
XLogP2.61
TPSA122.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.61
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-(4-((4-chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide
CID 52940465
N-(2-morpholinophenyl)-5-nitrofuran-2-carboxamide
CID 2996093
N-(4-morpholin-4-ylphenyl)-5-nitrofuran-2-carboxamide
CID 774021
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 953649
5-nitro-N-[4-(pyrrolidine-1-sulfonyl)phenyl]furan-2-carboxamide
CID 2548574
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 1048482
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 3161426
5-Nitro-furan-2-carboxylic acid (4-piperidin-1-yl-phenyl)-amide
CID 774956
N-(2-hydroxy-5-sulfamoylphenyl)-5-nitrofuran-2-carboxamide
CID 3648622
5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 6491079
5-Nitro-n-phenylfuran-2-carboxamide
CID 221609
N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide
CID 649025

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide (CID 9415121) is 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is GACBQZROQAGODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c20-16(14-8-9-15(25-14)19(21)22)17-12-4-6-13(7-5-12)26(23,24)18-10-2-1-3-11-18/h4-9H,1-3,10-11H2,(H,17,20).
What are the key properties of 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(4-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 9415121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).