N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide

C18H19FN4O4S — CID 30885794

IUPACN'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O4S/c19-15-5-3-13(4-6-15)17(24)21-22-18(25)14-7-10-23(11-8-14)28(26,27)16-2-1-9-20-12-16/h1-6,9,12,14H,7-8,10-11H2,(H,21,24)(H,22,25)
InChIKeyPOHUHUBTSSENQS-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.08
Rot. Bonds4

About N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide

N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide (PubChem CID 30885794) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
PubChem CID30885794
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC NameN'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O4S/c19-15-5-3-13(4-6-15)17(24)21-22-18(25)14-7-10-23(11-8-14)28(26,27)16-2-1-9-20-12-16/h1-6,9,12,14H,7-8,10-11H2,(H,21,24)(H,22,25)
InChIKeyPOHUHUBTSSENQS-UHFFFAOYSA-N
XLogP1.08
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 46407269
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30892749
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902817
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38868649
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066570
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46436053
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39947147
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43063464

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide (CID 30885794) is N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide?
The InChIKey is POHUHUBTSSENQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c19-15-5-3-13(4-6-15)17(24)21-22-18(25)14-7-10-23(11-8-14)28(26,27)16-2-1-9-20-12-16/h1-6,9,12,14H,7-8,10-11H2,(H,21,24)(H,22,25).
What are the key properties of N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide?
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide has a molecular weight of 406.44 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 30885794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).