(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid

C11H10O4S — CID 90286525

IUPAC(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid
SMILESC=C/C=C(/C(=O)O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10O4S/c1-2-6-10(11(12)13)16(14,15)9-7-4-3-5-8-9/h2-8H,1H2,(H,12,13)/b10-6-
InChIKeyMWUGAKSEXJQRLD-POHAHGRESA-N
MW238.26 g/mol
LogP1.61
Rot. Bonds4

About (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid

(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid (PubChem CID 90286525) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid
PubChem CID90286525
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid
SMILESC=C/C=C(/C(=O)O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10O4S/c1-2-6-10(11(12)13)16(14,15)9-7-4-3-5-8-9/h2-8H,1H2,(H,12,13)/b10-6-
InChIKeyMWUGAKSEXJQRLD-POHAHGRESA-N
XLogP1.61
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid?
The IUPAC name of (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid (CID 90286525) is (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid?
The canonical SMILES for (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid is C=C/C=C(/C(=O)O)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid?
The InChIKey is MWUGAKSEXJQRLD-POHAHGRESA-N. The full InChI is InChI=1S/C11H10O4S/c1-2-6-10(11(12)13)16(14,15)9-7-4-3-5-8-9/h2-8H,1H2,(H,12,13)/b10-6-.
What are the key properties of (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid?
(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid has a molecular weight of 238.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid is sourced from PubChem (CID 90286525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).