N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide

C13H16N4O3S — CID 113041801

IUPACN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(C)(=O)=O)nn2)cc1
InChIInChI=1S/C13H16N4O3S/c1-20-11-5-3-10(4-6-11)9-14-12-7-8-13(16-15-12)17-21(2,18)19/h3-8H,9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGMKOYKWLSUCWME-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.47
Rot. Bonds6

About N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide (PubChem CID 113041801) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
PubChem CID113041801
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(C)(=O)=O)nn2)cc1
InChIInChI=1S/C13H16N4O3S/c1-20-11-5-3-10(4-6-11)9-14-12-7-8-13(16-15-12)17-21(2,18)19/h3-8H,9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGMKOYKWLSUCWME-UHFFFAOYSA-N
XLogP1.47
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
CID 113041805
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041814
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 53073226
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
N-(5-methoxy-2-pyridinyl)methanesulfonamide
CID 67233634
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide
CID 113039467
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide (CID 113041801) is N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide is COc1ccc(CNc2ccc(NS(C)(=O)=O)nn2)cc1.
What is the InChIKey of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide?
The InChIKey is GMKOYKWLSUCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-20-11-5-3-10(4-6-11)9-14-12-7-8-13(16-15-12)17-21(2,18)19/h3-8H,9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide?
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113041801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).