N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide

C22H23FN4O2S — CID 71793990

IUPACN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C22H23FN4O2S/c23-19-8-4-7-18(15-19)21-9-10-22(25-24-21)27-13-11-20(12-14-27)26-30(28,29)16-17-5-2-1-3-6-17/h1-10,15,20,26H,11-14,16H2
InChIKeyFMRFQPGZKSAOPD-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.37
Rot. Bonds6

About N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide

N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide (PubChem CID 71793990) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
PubChem CID71793990
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C22H23FN4O2S/c23-19-8-4-7-18(15-19)21-9-10-22(25-24-21)27-13-11-20(12-14-27)26-30(28,29)16-17-5-2-1-3-6-17/h1-10,15,20,26H,11-14,16H2
InChIKeyFMRFQPGZKSAOPD-UHFFFAOYSA-N
XLogP3.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide
CID 53025319
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46292464
N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
CID 110752104
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025322
N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025350
5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 27260550
N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362794
1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
CID 159350919
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide (CID 71793990) is N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1.
What is the InChIKey of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide?
The InChIKey is FMRFQPGZKSAOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c23-19-8-4-7-18(15-19)21-9-10-22(25-24-21)27-13-11-20(12-14-27)26-30(28,29)16-17-5-2-1-3-6-17/h1-10,15,20,26H,11-14,16H2.
What are the key properties of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide?
N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide has a molecular weight of 426.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 71793990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).