methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate

C20H20N4O4S — CID 58845099

IUPACmethyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C20H20N4O4S/c1-28-20(25)18-8-9-19(22-21-18)23-10-12-24(13-11-23)29(26,27)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3
InChIKeyLZRWISFMMZFSQC-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.93
Rot. Bonds4

About methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate

methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate (PubChem CID 58845099) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate
PubChem CID58845099
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Namemethyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C20H20N4O4S/c1-28-20(25)18-8-9-19(22-21-18)23-10-12-24(13-11-23)29(26,27)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3
InChIKeyLZRWISFMMZFSQC-UHFFFAOYSA-N
XLogP1.93
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
tert-butyl 4-[6-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]pyridazin-3-yl]-1,4-diazepane-1-carboxylate
CID 21072671
4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 17413776
N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 53047728
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide
CID 3150874

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate (CID 58845099) is methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1.
What is the InChIKey of methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate?
The InChIKey is LZRWISFMMZFSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-28-20(25)18-8-9-19(22-21-18)23-10-12-24(13-11-23)29(26,27)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3.
What are the key properties of methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate?
methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate has a molecular weight of 412.47 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 58845099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).