N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide

C20H22N4O3S — CID 113048599

IUPACN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1Nc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C20H22N4O3S/c1-13-5-8-18(27-4)17(11-13)21-19-9-10-20(23-22-19)24-28(25,26)16-7-6-14(2)15(3)12-16/h5-12H,1-4H3,(H,21,22)(H,23,24)
InChIKeyIYWUWEZJBWNGEW-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.95
Rot. Bonds6

About N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide

N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113048599) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID113048599
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1Nc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C20H22N4O3S/c1-13-5-8-18(27-4)17(11-13)21-19-9-10-20(23-22-19)24-28(25,26)16-7-6-14(2)15(3)12-16/h5-12H,1-4H3,(H,21,22)(H,23,24)
InChIKeyIYWUWEZJBWNGEW-UHFFFAOYSA-N
XLogP3.95
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038524
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
6-(2-methoxy-5-methylanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267586
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (CID 113048599) is N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is COc1ccc(C)cc1Nc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)nn1.
What is the InChIKey of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is IYWUWEZJBWNGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13-5-8-18(27-4)17(11-13)21-19-9-10-20(23-22-19)24-28(25,26)16-7-6-14(2)15(3)12-16/h5-12H,1-4H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113048599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).