(E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide

C17H14N2O4S — CID 53464704

IUPAC(E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NO
InChIInChI=1S/C17H14N2O4S/c20-17(18-21)11-10-13-12-19(16-9-5-4-8-15(13)16)24(22,23)14-6-2-1-3-7-14/h1-12,21H,(H,18,20)/b11-10+
InChIKeyGIIVJOFGKGBXAS-ZHACJKMWSA-N
MW342.38 g/mol
LogP2.40
Rot. Bonds4

About (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide (PubChem CID 53464704) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide
PubChem CID53464704
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name(E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NO
InChIInChI=1S/C17H14N2O4S/c20-17(18-21)11-10-13-12-19(16-9-5-4-8-15(13)16)24(22,23)14-6-2-1-3-7-14/h1-12,21H,(H,18,20)/b11-10+
InChIKeyGIIVJOFGKGBXAS-ZHACJKMWSA-N
XLogP2.40
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
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-[1-(benzenesulfonyl)indol-3-yl]-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-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide (CID 53464704) is (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NO.
What is the InChIKey of (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide?
The InChIKey is GIIVJOFGKGBXAS-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-17(18-21)11-10-13-12-19(16-9-5-4-8-15(13)16)24(22,23)14-6-2-1-3-7-14/h1-12,21H,(H,18,20)/b11-10+.
What are the key properties of (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide has a molecular weight of 342.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(benzenesulfonyl)indol-3-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 53464704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).