3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide

C19H19FIN3O4S — CID 173135254

IUPAC3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2I)c1)NO
InChIInChI=1S/C19H19FIN3O4S/c20-16-6-1-2-7-17(16)23-10-11-24(18(21)13-23)29(27,28)15-5-3-4-14(12-15)8-9-19(25)22-26/h1-9,12,18,26H,10-11,13H2,(H,22,25)
InChIKeyVELHCRUCFHWTAG-UHFFFAOYSA-N
MW531.35 g/mol
LogP2.62
Rot. Bonds5

About 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide

3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide (PubChem CID 173135254) has the molecular formula C19H19FIN3O4S and a molecular weight of 531.35 g/mol. Its IUPAC name is 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
PubChem CID173135254
Molecular FormulaC19H19FIN3O4S
Molecular Weight531.35 g/mol
Exact Mass531.01
IUPAC Name3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2I)c1)NO
InChIInChI=1S/C19H19FIN3O4S/c20-16-6-1-2-7-17(16)23-10-11-24(18(21)13-23)29(27,28)15-5-3-4-14(12-15)8-9-19(25)22-26/h1-9,12,18,26H,10-11,13H2,(H,22,25)
InChIKeyVELHCRUCFHWTAG-UHFFFAOYSA-N
XLogP2.62
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-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

Related Compounds

3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
CID 154235698
(E)-4-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-1-hydroxybut-3-en-2-one
CID 58509582
N-hydroxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 90827276
(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 10127077
(E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 10127245
3-[3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoyl chloride
CID 91178970
3-[3-[3-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 74428920
3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 173039541
(Z)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
CID 167108218
(E)-3-[3-(3,4-dihydroxypyrrolidin-1-yl)sulfonylphenyl]prop-2-enoic acid
CID 106673603
(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide
CID 172652640
3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 91552459

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide (CID 173135254) is 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2I)c1)NO.
What is the InChIKey of 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The InChIKey is VELHCRUCFHWTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FIN3O4S/c20-16-6-1-2-7-17(16)23-10-11-24(18(21)13-23)29(27,28)15-5-3-4-14(12-15)8-9-19(25)22-26/h1-9,12,18,26H,10-11,13H2,(H,22,25).
What are the key properties of 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide has a molecular weight of 531.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 173135254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).