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

C19H20FN3O4S — CID 10237760

IUPAC(E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1)NO
InChIInChI=1S/C19H20FN3O4S/c20-17-6-1-2-7-18(17)22-10-12-23(13-11-22)28(26,27)16-5-3-4-15(14-16)8-9-19(24)21-25/h1-9,14,25H,10-13H2,(H,21,24)/b9-8+
InChIKeyPDBOVVKJYVWGQA-CMDGGOBGSA-N
MW405.45 g/mol
LogP1.86
Rot. Bonds5

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

(E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide (PubChem CID 10237760) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
PubChem CID10237760
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC Name(E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1)NO
InChIInChI=1S/C19H20FN3O4S/c20-17-6-1-2-7-18(17)22-10-12-23(13-11-22)28(26,27)16-5-3-4-15(14-16)8-9-19(24)21-25/h1-9,14,25H,10-13H2,(H,21,24)/b9-8+
InChIKeyPDBOVVKJYVWGQA-CMDGGOBGSA-N
XLogP1.86
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.86
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'}

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Related Compounds

N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
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CID 86277899
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
3-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 6457724
2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3244408
2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 3535094
3-[4-(Benzenesulfonyl-methyl-amino)-phenyl]-N-hydroxy-acrylamide
CID 5353769
(E)-3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 9858973
(2E,4E)-5-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-hydroxypenta-2,4-dienamide
CID 9885142
(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 10127077
(E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10131653

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide (CID 10237760) is (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1)NO.
What is the InChIKey of (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The InChIKey is PDBOVVKJYVWGQA-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c20-17-6-1-2-7-18(17)22-10-12-23(13-11-22)28(26,27)16-5-3-4-15(14-16)8-9-19(24)21-25/h1-9,14,25H,10-13H2,(H,21,24)/b9-8+.
What are the key properties of (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide has a molecular weight of 405.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 10237760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).