N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide

C19H20N4O2S — CID 113046757

IUPACN-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-15-6-8-16(9-7-15)20-18-12-13-19(22-21-18)23-26(24,25)17-10-4-14(2)5-11-17/h4-13H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyAVCCJVGESTYODP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.89
Rot. Bonds6

About N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide

N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide (PubChem CID 113046757) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
PubChem CID113046757
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-15-6-8-16(9-7-15)20-18-12-13-19(22-21-18)23-26(24,25)17-10-4-14(2)5-11-17/h4-13H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyAVCCJVGESTYODP-UHFFFAOYSA-N
XLogP3.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046777
N-[6-(3-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047503
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047417
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 162643157
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide (CID 113046757) is N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide is CCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is AVCCJVGESTYODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-15-6-8-16(9-7-15)20-18-12-13-19(22-21-18)23-26(24,25)17-10-4-14(2)5-11-17/h4-13H,3H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113046757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).