N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide

C15H20N4O2S — CID 113051444

IUPACN-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
SMILESCCN(c1cccc(C)c1)c1ccc(NS(=O)(=O)CC)nn1
InChIInChI=1S/C15H20N4O2S/c1-4-19(13-8-6-7-12(3)11-13)15-10-9-14(16-17-15)18-22(20,21)5-2/h6-11H,4-5H2,1-3H3,(H,16,18)
InChIKeyKCURQBWNHBKRKX-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.70
Rot. Bonds6

About N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide

N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide (PubChem CID 113051444) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
PubChem CID113051444
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
SMILESCCN(c1cccc(C)c1)c1ccc(NS(=O)(=O)CC)nn1
InChIInChI=1S/C15H20N4O2S/c1-4-19(13-8-6-7-12(3)11-13)15-10-9-14(16-17-15)18-22(20,21)5-2/h6-11H,4-5H2,1-3H3,(H,16,18)
InChIKeyKCURQBWNHBKRKX-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide
CID 109124947
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113051425
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051420
N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113046870
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113023014
6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110572
N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide
CID 112990134
[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114792
N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113046832
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129968

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide?
The IUPAC name of N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide (CID 113051444) is N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide is CCN(c1cccc(C)c1)c1ccc(NS(=O)(=O)CC)nn1.
What is the InChIKey of N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide?
The InChIKey is KCURQBWNHBKRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-19(13-8-6-7-12(3)11-13)15-10-9-14(16-17-15)18-22(20,21)5-2/h6-11H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide?
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide is sourced from PubChem (CID 113051444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).