N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide

C15H20N4O2S — CID 113044074

IUPACN-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccccc2C)nn1
InChIInChI=1S/C15H20N4O2S/c1-4-19(5-2)15-11-10-14(16-17-15)18-22(20,21)13-9-7-6-8-12(13)3/h6-11H,4-5H2,1-3H3,(H,16,18)
InChIKeyYKOQZIDEXYKZEI-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.43
Rot. Bonds6

About N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide

N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 113044074) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
PubChem CID113044074
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccccc2C)nn1
InChIInChI=1S/C15H20N4O2S/c1-4-19(5-2)15-11-10-14(16-17-15)18-22(20,21)13-9-7-6-8-12(13)3/h6-11H,4-5H2,1-3H3,(H,16,18)
InChIKeyYKOQZIDEXYKZEI-UHFFFAOYSA-N
XLogP2.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040001
N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113045199
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040746
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041950
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide
CID 113041939
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113041877
N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 113044839
N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide
CID 86807271

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide (CID 113044074) is N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccccc2C)nn1.
What is the InChIKey of N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is YKOQZIDEXYKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-19(5-2)15-11-10-14(16-17-15)18-22(20,21)13-9-7-6-8-12(13)3/h6-11H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113044074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).