(E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide

C17H13FN2O4S — CID 53464579

IUPAC(E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccc(F)cc2)c1)NO
InChIInChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+
InChIKeyFUUWQMNGOYFALL-KRXBUXKQSA-N
MW360.37 g/mol
LogP2.54
Rot. Bonds4

About (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 53464579) has the molecular formula C17H13FN2O4S and a molecular weight of 360.37 g/mol. Its IUPAC name is (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID53464579
Molecular FormulaC17H13FN2O4S
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Name(E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccc(F)cc2)c1)NO
InChIInChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+
InChIKeyFUUWQMNGOYFALL-KRXBUXKQSA-N
XLogP2.54
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.54
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-(4-fluorophenyl)sulfonylindol-5-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-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide (CID 53464579) is (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccc(F)cc2)c1)NO.
What is the InChIKey of (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is FUUWQMNGOYFALL-KRXBUXKQSA-N. The full InChI is InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+.
What are the key properties of (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 360.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(4-fluorophenyl)sulfonylindol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 53464579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).