N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide

C20H22N4O3S — CID 113041807

IUPACN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)nn2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14-4-9-18(15(2)12-14)28(25,26)24-20-11-10-19(22-23-20)21-13-16-5-7-17(27-3)8-6-16/h4-12H,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXRASICMKYASWSJ-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.51
Rot. Bonds7

About N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113041807) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID113041807
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)nn2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14-4-9-18(15(2)12-14)28(25,26)24-20-11-10-19(22-23-20)21-13-16-5-7-17(27-3)8-6-16/h4-12H,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXRASICMKYASWSJ-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]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040944
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
CID 113041805
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041814
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038004
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide (CID 113041807) is N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide is COc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)nn2)cc1.
What is the InChIKey of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is XRASICMKYASWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-4-9-18(15(2)12-14)28(25,26)24-20-11-10-19(22-23-20)21-13-16-5-7-17(27-3)8-6-16/h4-12H,13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide 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 N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113041807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).