N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide

C15H21N5O2S — CID 113040001

IUPACN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(NCCN(C)C)nn1
InChIInChI=1S/C15H21N5O2S/c1-12-6-4-5-7-13(12)23(21,22)19-15-9-8-14(17-18-15)16-10-11-20(2)3/h4-9H,10-11H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyZOOYOMKTBIHYJF-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.56
Rot. Bonds7

About N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide

N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 113040001) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide
PubChem CID113040001
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(NCCN(C)C)nn1
InChIInChI=1S/C15H21N5O2S/c1-12-6-4-5-7-13(12)23(21,22)19-15-9-8-14(17-18-15)16-10-11-20(2)3/h4-9H,10-11H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyZOOYOMKTBIHYJF-UHFFFAOYSA-N
XLogP1.56
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113044074
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040746
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113041877
3-[3-(dimethylamino)propylamino]-6-(dimethylsulfamoylamino)pyridazine
CID 113040165
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113040198
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039881
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941927
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide (CID 113040001) is N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(NCCN(C)C)nn1.
What is the InChIKey of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is ZOOYOMKTBIHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-12-6-4-5-7-13(12)23(21,22)19-15-9-8-14(17-18-15)16-10-11-20(2)3/h4-9H,10-11H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide?
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113040001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).