3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine

C16H21FN6O2S — CID 113043785

IUPAC3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C16H21FN6O2S/c1-21(2)26(24,25)20-15-7-8-16(19-18-15)23-11-9-22(10-12-23)14-6-4-3-5-13(14)17/h3-8H,9-12H2,1-2H3,(H,18,20)
InChIKeyGWNIWLHFIPLKJX-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.16
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine

3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine (PubChem CID 113043785) has the molecular formula C16H21FN6O2S and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine
PubChem CID113043785
Molecular FormulaC16H21FN6O2S
Molecular Weight380.45 g/mol
Exact Mass380.14
IUPAC Name3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C16H21FN6O2S/c1-21(2)26(24,25)20-15-7-8-16(19-18-15)23-11-9-22(10-12-23)14-6-4-3-5-13(14)17/h3-8H,9-12H2,1-2H3,(H,18,20)
InChIKeyGWNIWLHFIPLKJX-UHFFFAOYSA-N
XLogP1.16
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
CID 113043895
3-(dimethylsulfamoylamino)-6-piperidin-1-ylpyridazine
CID 113039016
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 113043949
3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine
CID 113039258
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]furan-2-carboxamide
CID 113043760
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]methanol
CID 61254158
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 4877422
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040294

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine (CID 113043785) is 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine is CN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nn1.
What is the InChIKey of 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine?
The InChIKey is GWNIWLHFIPLKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O2S/c1-21(2)26(24,25)20-15-7-8-16(19-18-15)23-11-9-22(10-12-23)14-6-4-3-5-13(14)17/h3-8H,9-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine?
3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine has a molecular weight of 380.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 113043785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).