4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide

C13H12N2O4S — CID 871981

IUPAC4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccco2)cc1
InChIInChI=1S/C13H12N2O4S/c14-20(17,18)11-5-3-10(4-6-11)15-8-7-12(16)13-2-1-9-19-13/h1-9,15H,(H2,14,17,18)/b8-7+
InChIKeyGXLWPNZEITZEBS-BQYQJAHWSA-N
MW292.32 g/mol
LogP1.74
Rot. Bonds5

About 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide

4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide (PubChem CID 871981) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
PubChem CID871981
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccco2)cc1
InChIInChI=1S/C13H12N2O4S/c14-20(17,18)11-5-3-10(4-6-11)15-8-7-12(16)13-2-1-9-19-13/h1-9,15H,(H2,14,17,18)/b8-7+
InChIKeyGXLWPNZEITZEBS-BQYQJAHWSA-N
XLogP1.74
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide (CID 871981) is 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccco2)cc1.
What is the InChIKey of 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide?
The InChIKey is GXLWPNZEITZEBS-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-20(17,18)11-5-3-10(4-6-11)15-8-7-12(16)13-2-1-9-19-13/h1-9,15H,(H2,14,17,18)/b8-7+.
What are the key properties of 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide?
4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide is sourced from PubChem (CID 871981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).