N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide

C23H24FN5O4S — CID 53081527

IUPACN-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H24FN5O4S/c1-16-3-8-20(25-17(2)30)21(15-16)34(32,33)28-13-11-27(12-14-28)22-9-10-23(31)29(26-22)19-6-4-18(24)5-7-19/h3-10,15H,11-14H2,1-2H3,(H,25,30)
InChIKeyRSOHOPNVZJGSCZ-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.15
Rot. Bonds5

About N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide

N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide (PubChem CID 53081527) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
PubChem CID53081527
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC NameN-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H24FN5O4S/c1-16-3-8-20(25-17(2)30)21(15-16)34(32,33)28-13-11-27(12-14-28)22-9-10-23(31)29(26-22)19-6-4-18(24)5-7-19/h3-10,15H,11-14H2,1-2H3,(H,25,30)
InChIKeyRSOHOPNVZJGSCZ-UHFFFAOYSA-N
XLogP2.15
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081514
N-(2-chloro-4-methylphenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide
CID 46335029
N-(2-chloro-4-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070556
2-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one
CID 53081678
N-(2,4-dimethylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335237
2-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one
CID 46335163
N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081668
6-[4-(3-chloro-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 50789259
6-[4-(3,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 46335140
(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 95069347
N-(2-chloro-4-fluorophenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071102

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide (CID 53081527) is N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The InChIKey is RSOHOPNVZJGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c1-16-3-8-20(25-17(2)30)21(15-16)34(32,33)28-13-11-27(12-14-28)22-9-10-23(31)29(26-22)19-6-4-18(24)5-7-19/h3-10,15H,11-14H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide?
N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide is sourced from PubChem (CID 53081527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).