N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

C17H22FN5O3S — CID 122350896

IUPACN-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCCNc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)nn1
InChIInChI=1S/C17H22FN5O3S/c1-3-19-16-6-7-17(21-20-16)22-8-10-23(11-9-22)27(24,25)15-12-13(18)4-5-14(15)26-2/h4-7,12H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyPPLCLCDKADWSDN-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.57
Rot. Bonds6

About N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 122350896) has the molecular formula C17H22FN5O3S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID122350896
Molecular FormulaC17H22FN5O3S
Molecular Weight395.46 g/mol
Exact Mass395.14
IUPAC NameN-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCCNc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)nn1
InChIInChI=1S/C17H22FN5O3S/c1-3-19-16-6-7-17(21-20-16)22-8-10-23(11-9-22)27(24,25)15-12-13(18)4-5-14(15)26-2/h4-7,12H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyPPLCLCDKADWSDN-UHFFFAOYSA-N
XLogP1.57
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122350947
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351859
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122350710
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
CID 42110751
1-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817351
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 122350896) is N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine is CCNc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)nn1.
What is the InChIKey of N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is PPLCLCDKADWSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3S/c1-3-19-16-6-7-17(21-20-16)22-8-10-23(11-9-22)27(24,25)15-12-13(18)4-5-14(15)26-2/h4-7,12H,3,8-11H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 395.46 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 122350896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).