N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

C17H20FN5O3S — CID 146129639

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3cccnn3)CC2)c1
InChIInChI=1S/C17H20FN5O3S/c1-27(25,26)13-4-5-14(18)15(11-13)20-17(24)12-22-7-9-23(10-8-22)16-3-2-6-19-21-16/h2-6,11H,7-10,12H2,1H3,(H,20,24)
InChIKeyQPVWKDGLNYBWRT-UHFFFAOYSA-N
MW393.44 g/mol
LogP0.78
Rot. Bonds5

About N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide (PubChem CID 146129639) has the molecular formula C17H20FN5O3S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
PubChem CID146129639
Molecular FormulaC17H20FN5O3S
Molecular Weight393.44 g/mol
Exact Mass393.13
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3cccnn3)CC2)c1
InChIInChI=1S/C17H20FN5O3S/c1-27(25,26)13-4-5-14(18)15(11-13)20-17(24)12-22-7-9-23(10-8-22)16-3-2-6-19-21-16/h2-6,11H,7-10,12H2,1H3,(H,20,24)
InChIKeyQPVWKDGLNYBWRT-UHFFFAOYSA-N
XLogP0.78
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592
N-(3-methylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8618487
N-(5-chloro-2-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146893
N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 75500271
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 171364462
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60710101
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide
CID 86894390
N-(3-chloro-2-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31631258

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide (CID 146129639) is N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide is CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3cccnn3)CC2)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is QPVWKDGLNYBWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3S/c1-27(25,26)13-4-5-14(18)15(11-13)20-17(24)12-22-7-9-23(10-8-22)16-3-2-6-19-21-16/h2-6,11H,7-10,12H2,1H3,(H,20,24).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 146129639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).