N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine

C22H27N5O2S — CID 18584511

IUPACN,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
SMILESCCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C22H27N5O2S/c1-3-25(4-2)21-11-12-22(24-23-21)26-13-15-27(16-14-26)30(28,29)20-10-9-18-7-5-6-8-19(18)17-20/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyRMHFJTAPMAAXBJ-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.99
Rot. Bonds6

About N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine

N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine (PubChem CID 18584511) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
PubChem CID18584511
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
SMILESCCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C22H27N5O2S/c1-3-25(4-2)21-11-12-22(24-23-21)26-13-15-27(16-14-26)30(28,29)20-10-9-18-7-5-6-8-19(18)17-20/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyRMHFJTAPMAAXBJ-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine?
The IUPAC name of N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine (CID 18584511) is N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine.
What is the SMILES notation for N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine?
The canonical SMILES for N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine is CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1.
What is the InChIKey of N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine?
The InChIKey is RMHFJTAPMAAXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-3-25(4-2)21-11-12-22(24-23-21)26-13-15-27(16-14-26)30(28,29)20-10-9-18-7-5-6-8-19(18)17-20/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine?
N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine has a molecular weight of 425.56 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-amine is sourced from PubChem (CID 18584511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).