3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide

C19H20N4O2S — CID 113041051

IUPAC3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)c1
InChIInChI=1S/C19H20N4O2S/c1-14-5-3-7-16(11-14)13-20-18-9-10-19(22-21-18)23-26(24,25)17-8-4-6-15(2)12-17/h3-12H,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXCJIPBSPTFLUOF-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.51
Rot. Bonds6

About 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide

3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 113041051) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
PubChem CID113041051
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)c1
InChIInChI=1S/C19H20N4O2S/c1-14-5-3-7-16(11-14)13-20-18-9-10-19(22-21-18)23-26(24,25)17-8-4-6-15(2)12-17/h3-12H,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXCJIPBSPTFLUOF-UHFFFAOYSA-N
XLogP3.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide
CID 11639564
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113039383
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide (CID 113041051) is 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide is Cc1cccc(CNc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)c1.
What is the InChIKey of 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is XCJIPBSPTFLUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-5-3-7-16(11-14)13-20-18-9-10-19(22-21-18)23-26(24,25)17-8-4-6-15(2)12-17/h3-12H,13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113041051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).