N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide

C19H20FN3O4S — CID 7809293

IUPACN'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H20FN3O4S/c20-16-6-8-17(9-7-16)28(26,27)23-12-10-15(11-13-23)19(25)22-21-18(24)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,24)(H,22,25)
InChIKeyPVLLFDRRSISJDV-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.69
Rot. Bonds4

About N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide

N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 7809293) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID7809293
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H20FN3O4S/c20-16-6-8-17(9-7-16)28(26,27)23-12-10-15(11-13-23)19(25)22-21-18(24)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,24)(H,22,25)
InChIKeyPVLLFDRRSISJDV-UHFFFAOYSA-N
XLogP1.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757
(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 1446050
N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 3230759
1-(4-fluorophenyl)sulfonyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 100651425
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide (CID 7809293) is N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is PVLLFDRRSISJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c20-16-6-8-17(9-7-16)28(26,27)23-12-10-15(11-13-23)19(25)22-21-18(24)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,24)(H,22,25).
What are the key properties of N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide?
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 405.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 7809293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).