4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide

C20H22N4O3S — CID 113040944

IUPAC4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)nn2)c(C)c1
InChIInChI=1S/C20H22N4O3S/c1-14-6-4-5-7-16(14)13-21-19-10-11-20(23-22-19)24-28(25,26)18-9-8-17(27-3)12-15(18)2/h4-12H,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyDEKRSKIUQIEDMD-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.51
Rot. Bonds7

About 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide

4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 113040944) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
PubChem CID113040944
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)nn2)c(C)c1
InChIInChI=1S/C20H22N4O3S/c1-14-6-4-5-7-16(14)13-21-19-10-11-20(23-22-19)24-28(25,26)18-9-8-17(27-3)12-15(18)2/h4-12H,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyDEKRSKIUQIEDMD-UHFFFAOYSA-N
XLogP3.51
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038004
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
2-(4-methoxyphenyl)-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113040895
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113040954
N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113029763
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide (CID 113040944) is 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)nn2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is DEKRSKIUQIEDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-6-4-5-7-16(14)13-21-19-10-11-20(23-22-19)24-28(25,26)18-9-8-17(27-3)12-15(18)2/h4-12H,13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113040944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).