5-piperazin-1-ylsulfonylfuran-2-carboxamide

C9H13N3O4S — CID 39870117

IUPAC5-piperazin-1-ylsulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCNCC2)o1
InChIInChI=1S/C9H13N3O4S/c10-9(13)7-1-2-8(16-7)17(14,15)12-5-3-11-4-6-12/h1-2,11H,3-6H2,(H2,10,13)
InChIKeyOXIAPQGSCKWZLP-UHFFFAOYSA-N
MW259.29 g/mol
LogP-1.03
Rot. Bonds3

About 5-piperazin-1-ylsulfonylfuran-2-carboxamide

5-piperazin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 39870117) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-piperazin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-piperazin-1-ylsulfonylfuran-2-carboxamide
PubChem CID39870117
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name5-piperazin-1-ylsulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCNCC2)o1
InChIInChI=1S/C9H13N3O4S/c10-9(13)7-1-2-8(16-7)17(14,15)12-5-3-11-4-6-12/h1-2,11H,3-6H2,(H2,10,13)
InChIKeyOXIAPQGSCKWZLP-UHFFFAOYSA-N
XLogP-1.03
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-piperazin-1-ylsulfonylfuran-2-carboxamide (CID 39870117) is 5-piperazin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-piperazin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-piperazin-1-ylsulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCNCC2)o1.
What is the InChIKey of 5-piperazin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is OXIAPQGSCKWZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c10-9(13)7-1-2-8(16-7)17(14,15)12-5-3-11-4-6-12/h1-2,11H,3-6H2,(H2,10,13).
What are the key properties of 5-piperazin-1-ylsulfonylfuran-2-carboxamide?
5-piperazin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 259.29 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 39870117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).