3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine

C14H19N5O3S — CID 113041805

IUPAC3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)N(C)C)nn2)cc1
InChIInChI=1S/C14H19N5O3S/c1-19(2)23(20,21)18-14-9-8-13(16-17-14)15-10-11-4-6-12(22-3)7-5-11/h4-9H,10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySDOUALINADCUKF-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.32
Rot. Bonds7

About 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine

3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine (PubChem CID 113041805) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
PubChem CID113041805
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)N(C)C)nn2)cc1
InChIInChI=1S/C14H19N5O3S/c1-19(2)23(20,21)18-14-9-8-13(16-17-14)15-10-11-4-6-12(22-3)7-5-11/h4-9H,10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySDOUALINADCUKF-UHFFFAOYSA-N
XLogP1.32
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine
CID 113041130
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-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[2-(dimethylamino)ethyl]-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109115345
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine?
The IUPAC name of 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine (CID 113041805) is 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine?
The canonical SMILES for 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine is COc1ccc(CNc2ccc(NS(=O)(=O)N(C)C)nn2)cc1.
What is the InChIKey of 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine?
The InChIKey is SDOUALINADCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-19(2)23(20,21)18-14-9-8-13(16-17-14)15-10-11-4-6-12(22-3)7-5-11/h4-9H,10H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine?
3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine has a molecular weight of 337.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine is sourced from PubChem (CID 113041805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).