N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide

C13H16N4O4S — CID 113048905

IUPACN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(C)(=O)=O)nn2)cc1OC
InChIInChI=1S/C13H16N4O4S/c1-20-10-5-4-9(8-11(10)21-2)14-12-6-7-13(16-15-12)17-22(3,18)19/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyGKTIDROJHPBKFO-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.61
Rot. Bonds6

About N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113048905) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
PubChem CID113048905
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC NameN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(C)(=O)=O)nn2)cc1OC
InChIInChI=1S/C13H16N4O4S/c1-20-10-5-4-9(8-11(10)21-2)14-12-6-7-13(16-15-12)17-22(3,18)19/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyGKTIDROJHPBKFO-UHFFFAOYSA-N
XLogP1.61
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113048909
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
N-[6-(4-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047127
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide (CID 113048905) is N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide is COc1ccc(Nc2ccc(NS(C)(=O)=O)nn2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is GKTIDROJHPBKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-20-10-5-4-9(8-11(10)21-2)14-12-6-7-13(16-15-12)17-22(3,18)19/h4-8H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide?
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 324.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113048905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).