4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide

C12H11NO2S2 — CID 50908699

IUPAC4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/C=C/c2ccsc2)cc1
InChIInChI=1S/C12H11NO2S2/c13-17(14,15)12-5-3-10(4-6-12)1-2-11-7-8-16-9-11/h1-9H,(H2,13,14,15)/b2-1+
InChIKeyJQHQATMSMAURMY-OWOJBTEDSA-N
MW265.36 g/mol
LogP2.57
Rot. Bonds3

About 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide

4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide (PubChem CID 50908699) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide
PubChem CID50908699
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/C=C/c2ccsc2)cc1
InChIInChI=1S/C12H11NO2S2/c13-17(14,15)12-5-3-10(4-6-12)1-2-11-7-8-16-9-11/h1-9H,(H2,13,14,15)/b2-1+
InChIKeyJQHQATMSMAURMY-OWOJBTEDSA-N
XLogP2.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide?
The IUPAC name of 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide (CID 50908699) is 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide?
The canonical SMILES for 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/C=C/c2ccsc2)cc1.
What is the InChIKey of 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide?
The InChIKey is JQHQATMSMAURMY-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H11NO2S2/c13-17(14,15)12-5-3-10(4-6-12)1-2-11-7-8-16-9-11/h1-9H,(H2,13,14,15)/b2-1+.
What are the key properties of 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide?
4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide has a molecular weight of 265.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-thiophen-3-ylethenyl]benzenesulfonamide is sourced from PubChem (CID 50908699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).