6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine

C20H27N5O3S — CID 122335661

IUPAC6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
SMILESCCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)nn1
InChIInChI=1S/C20H27N5O3S/c1-3-23(4-2)19-7-8-20(22-21-19)24-10-12-25(13-11-24)29(26,27)17-5-6-18-16(15-17)9-14-28-18/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyXMNUNKCLAUFZJA-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.77
Rot. Bonds6

About 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine

6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine (PubChem CID 122335661) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
PubChem CID122335661
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
SMILESCCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)nn1
InChIInChI=1S/C20H27N5O3S/c1-3-23(4-2)19-7-8-20(22-21-19)24-10-12-25(13-11-24)29(26,27)17-5-6-18-16(15-17)9-14-28-18/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyXMNUNKCLAUFZJA-UHFFFAOYSA-N
XLogP1.77
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine with MolForge

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Related Compounds

3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339139
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 55502979
3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazine
CID 122337124
1-(5-bromo-2-pyridinyl)-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
CID 55681889
N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121053157
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 122336539
1-[6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335094
N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122335682
4-[6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355504
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
CID 110819027
4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338388

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine?
The IUPAC name of 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine (CID 122335661) is 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine?
The canonical SMILES for 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine is CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)nn1.
What is the InChIKey of 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine?
The InChIKey is XMNUNKCLAUFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-3-23(4-2)19-7-8-20(22-21-19)24-10-12-25(13-11-24)29(26,27)17-5-6-18-16(15-17)9-14-28-18/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine?
6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine has a molecular weight of 417.54 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine is sourced from PubChem (CID 122335661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).