N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide

C16H22N4O2S — CID 113041939

IUPACN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N(CC)Cc2ccccc2)nn1
InChIInChI=1S/C16H22N4O2S/c1-3-12-23(21,22)19-15-10-11-16(18-17-15)20(4-2)13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,17,19)
InChIKeyFTMKXPVEOPESBB-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.65
Rot. Bonds8

About N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide

N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 113041939) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide
PubChem CID113041939
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N(CC)Cc2ccccc2)nn1
InChIInChI=1S/C16H22N4O2S/c1-3-12-23(21,22)19-15-10-11-16(18-17-15)20(4-2)13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,17,19)
InChIKeyFTMKXPVEOPESBB-UHFFFAOYSA-N
XLogP2.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methylbenzenesulfonamide
CID 22576109
N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]ethanesulfonamide
CID 164612786
N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide
CID 164621593
N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]-2-methylpropane-1-sulfonamide
CID 164626007
N-(4-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-4-ethylbenzenesulfonamide
CID 16029157
3-methyl-N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 16029010
N-{3-[6-(Azepan-1-YL)pyridazin-3-YL]phenyl}benzenesulfonamide
CID 16029070
6-(4-(ethylsulfonyl)piperazin-1-yl)-N-(p-tolyl)pyridazin-3-amine
CID 7178092
5-[6-(Diethylamino)-3-pyridazinyl]-2-methylbenzenesulfonamide
CID 27245270
3-(4-Benzylpiperidin-1-yl)-6-(propylsulfonyl)pyridazine
CID 30849343
3-(4-Benzylpiperazin-1-yl)-6-(propylsulfonyl)pyridazine
CID 30849345
(Z)-3-(4-fluorophenyl)-6-(4-(styrylsulfonyl)piperazin-1-yl)pyridazine
CID 44026390

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide (CID 113041939) is N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(N(CC)Cc2ccccc2)nn1.
What is the InChIKey of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is FTMKXPVEOPESBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-12-23(21,22)19-15-10-11-16(18-17-15)20(4-2)13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,17,19).
What are the key properties of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide?
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 113041939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).