(2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide

C17H16N2O4S — CID 10641174

IUPAC(2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1cccc(NS(=O)(=O)c2ccccc2)c1)NO
InChIInChI=1S/C17H16N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-13,19,21H,(H,18,20)/b7-4+,12-5+
InChIKeyCNXQMNWXDFRZCJ-WICBUYNWSA-N
MW344.39 g/mol
LogP2.56
Rot. Bonds6

About (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide

(2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide (PubChem CID 10641174) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide
PubChem CID10641174
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1cccc(NS(=O)(=O)c2ccccc2)c1)NO
InChIInChI=1S/C17H16N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-13,19,21H,(H,18,20)/b7-4+,12-5+
InChIKeyCNXQMNWXDFRZCJ-WICBUYNWSA-N
XLogP2.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide 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 (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide (CID 10641174) is (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide is O=C(/C=C/C=C/c1cccc(NS(=O)(=O)c2ccccc2)c1)NO.
What is the InChIKey of (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide?
The InChIKey is CNXQMNWXDFRZCJ-WICBUYNWSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-13,19,21H,(H,18,20)/b7-4+,12-5+.
What are the key properties of (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide?
(2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide has a molecular weight of 344.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypenta-2,4-dienamide is sourced from PubChem (CID 10641174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).