4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide

C19H23FN4O4S — CID 122430517

IUPAC4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(C)(C1(O)CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H23FN4O4S/c1-18(2,29(27,28)16-5-3-4-14(20)12-16)19(26)7-10-24(11-8-19)17(25)23-15-6-9-21-22-13-15/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3,(H,21,23,25)
InChIKeyVZKFPFSHWFYANK-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.23
Rot. Bonds4

About 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide

4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide (PubChem CID 122430517) has the molecular formula C19H23FN4O4S and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide
PubChem CID122430517
Molecular FormulaC19H23FN4O4S
Molecular Weight422.48 g/mol
Exact Mass422.14
IUPAC Name4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(C)(C1(O)CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H23FN4O4S/c1-18(2,29(27,28)16-5-3-4-14(20)12-16)19(26)7-10-24(11-8-19)17(25)23-15-6-9-21-22-13-15/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3,(H,21,23,25)
InChIKeyVZKFPFSHWFYANK-UHFFFAOYSA-N
XLogP2.23
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine;4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;phenyl 2-pyridazin-4-ylacetate
CID 160806713
4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid
CID 122424258
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;phenyl 2-pyridazin-4-ylacetate
CID 157096892
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
CID 122430747
tert-butyl 4-[[4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carbonyl]amino]pyrazole-1-carboxylate
CID 122424446
4-[difluoro-(3-fluorophenyl)sulfonylmethyl]-N-[2-(1-hydroxyethyl)-4-pyridinyl]piperidine-1-carboxamide
CID 139451750
4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 134368515
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
4-[difluoro-(1-methylindazol-4-yl)sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122430260
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide (CID 122430517) is 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide is CC(C)(C1(O)CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide?
The InChIKey is VZKFPFSHWFYANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4S/c1-18(2,29(27,28)16-5-3-4-14(20)12-16)19(26)7-10-24(11-8-19)17(25)23-15-6-9-21-22-13-15/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3,(H,21,23,25).
What are the key properties of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide?
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 122430517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).