N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide

C13H16N4O2S — CID 106896524

IUPACN,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCc1cccnn1
InChIInChI=1S/C13H16N4O2S/c1-17(2)20(18,19)13-8-4-3-7-12(13)14-10-11-6-5-9-15-16-11/h3-9,14H,10H2,1-2H3
InChIKeyBFXPJXJUTLYVKH-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.34
Rot. Bonds5

About N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide

N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide (PubChem CID 106896524) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
PubChem CID106896524
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCc1cccnn1
InChIInChI=1S/C13H16N4O2S/c1-17(2)20(18,19)13-8-4-3-7-12(13)14-10-11-6-5-9-15-16-11/h3-9,14H,10H2,1-2H3
InChIKeyBFXPJXJUTLYVKH-UHFFFAOYSA-N
XLogP1.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106894888
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 61044463
N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 61014343
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79233745
2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
CID 106894773
2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79530172
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106048174
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
CID 79562680
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79529330
N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330452

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide (CID 106896524) is N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCc1cccnn1.
What is the InChIKey of N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide?
The InChIKey is BFXPJXJUTLYVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(2)20(18,19)13-8-4-3-7-12(13)14-10-11-6-5-9-15-16-11/h3-9,14H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide?
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 106896524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).