(E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide

C21H16N2O5S — CID 11069560

IUPAC(E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1)NO
InChIInChI=1S/C21H16N2O5S/c24-21(22-25)12-7-14-5-8-15(9-6-14)23-29(26,27)16-10-11-20-18(13-16)17-3-1-2-4-19(17)28-20/h1-13,23,25H,(H,22,24)/b12-7+
InChIKeyRRQWEXVQTHBHNH-KPKJPENVSA-N
MW408.44 g/mol
LogP3.91
Rot. Bonds5

About (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 11069560) has the molecular formula C21H16N2O5S and a molecular weight of 408.44 g/mol. Its IUPAC name is (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide
PubChem CID11069560
Molecular FormulaC21H16N2O5S
Molecular Weight408.44 g/mol
Exact Mass408.08
IUPAC Name(E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1)NO
InChIInChI=1S/C21H16N2O5S/c24-21(22-25)12-7-14-5-8-15(9-6-14)23-29(26,27)16-10-11-20-18(13-16)17-3-1-2-4-19(17)28-20/h1-13,23,25H,(H,22,24)/b12-7+
InChIKeyRRQWEXVQTHBHNH-KPKJPENVSA-N
XLogP3.91
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide 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 (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide (CID 11069560) is (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1)NO.
What is the InChIKey of (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is RRQWEXVQTHBHNH-KPKJPENVSA-N. The full InChI is InChI=1S/C21H16N2O5S/c24-21(22-25)12-7-14-5-8-15(9-6-14)23-29(26,27)16-10-11-20-18(13-16)17-3-1-2-4-19(17)28-20/h1-13,23,25H,(H,22,24)/b12-7+.
What are the key properties of (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 408.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11069560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).