4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide

C12H11NO3S — CID 52946892

IUPAC4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/C=C/c2ccco2)cc1
InChIInChI=1S/C12H11NO3S/c13-17(14,15)12-7-4-10(5-8-12)3-6-11-2-1-9-16-11/h1-9H,(H2,13,14,15)/b6-3+
InChIKeyLUXIPMZZPXZHSJ-ZZXKWVIFSA-N
MW249.29 g/mol
LogP2.10
Rot. Bonds3

About 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide

4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide (PubChem CID 52946892) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide
PubChem CID52946892
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/C=C/c2ccco2)cc1
InChIInChI=1S/C12H11NO3S/c13-17(14,15)12-7-4-10(5-8-12)3-6-11-2-1-9-16-11/h1-9H,(H2,13,14,15)/b6-3+
InChIKeyLUXIPMZZPXZHSJ-ZZXKWVIFSA-N
XLogP2.10
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide?
The IUPAC name of 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide (CID 52946892) is 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide?
The canonical SMILES for 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/C=C/c2ccco2)cc1.
What is the InChIKey of 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide?
The InChIKey is LUXIPMZZPXZHSJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H11NO3S/c13-17(14,15)12-7-4-10(5-8-12)3-6-11-2-1-9-16-11/h1-9H,(H2,13,14,15)/b6-3+.
What are the key properties of 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide?
4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide has a molecular weight of 249.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(furan-2-yl)ethenyl]benzenesulfonamide is sourced from PubChem (CID 52946892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).