N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide

C19H20BrFN4O4S — CID 162650443

IUPACN'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide
SMILESO=C(/C(=N/c1ccc(F)c(Br)c1)NO)C1CCN(S(=O)(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H20BrFN4O4S/c20-16-12-15(6-7-17(16)21)22-19(23-27)18(26)13-8-10-25(11-9-13)30(28,29)24-14-4-2-1-3-5-14/h1-7,12-13,24,27H,8-11H2,(H,22,23)
InChIKeyPILGNNIWQIVIET-UHFFFAOYSA-N
MW499.36 g/mol
LogP3.23
Rot. Bonds6

About N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide

N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide (PubChem CID 162650443) has the molecular formula C19H20BrFN4O4S and a molecular weight of 499.36 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide
PubChem CID162650443
Molecular FormulaC19H20BrFN4O4S
Molecular Weight499.36 g/mol
Exact Mass498.04
IUPAC NameN'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide
SMILESO=C(/C(=N/c1ccc(F)c(Br)c1)NO)C1CCN(S(=O)(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H20BrFN4O4S/c20-16-12-15(6-7-17(16)21)22-19(23-27)18(26)13-8-10-25(11-9-13)30(28,29)24-14-4-2-1-3-5-14/h1-7,12-13,24,27H,8-11H2,(H,22,23)
InChIKeyPILGNNIWQIVIET-UHFFFAOYSA-N
XLogP3.23
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]piperidine-1-carbothioamide
CID 145256777
4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide
CID 145256925
4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 126593163
4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide
CID 126593602
N'-(3-bromo-4-fluorophenyl)-2-oxo-2-(1-sulfamoylazepan-4-yl)ethanimidamide
CID 126592834
N'-(3-bromo-4-fluorophenyl)-2-oxo-2-(1-sulfamoylpyrrolidin-3-yl)ethanimidamide
CID 126593045
2-[4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]piperidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 126593139
4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 145256911
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 115663199
1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858072
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-[4-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]phenyl]piperidine-1-carboxamide
CID 126593061

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide?
The IUPAC name of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide (CID 162650443) is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide.
What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide?
The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide is O=C(/C(=N/c1ccc(F)c(Br)c1)NO)C1CCN(S(=O)(=O)Nc2ccccc2)CC1.
What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide?
The InChIKey is PILGNNIWQIVIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN4O4S/c20-16-12-15(6-7-17(16)21)22-19(23-27)18(26)13-8-10-25(11-9-13)30(28,29)24-14-4-2-1-3-5-14/h1-7,12-13,24,27H,8-11H2,(H,22,23).
What are the key properties of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide?
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide has a molecular weight of 499.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide is sourced from PubChem (CID 162650443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).