N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide

C20H22N4O3S — CID 113041327

IUPACN-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)nn2)cc1C
InChIInChI=1S/C20H22N4O3S/c1-15-13-17(9-10-18(15)27-3)28(25,26)23-19-11-12-20(22-21-19)24(2)14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,21,23)
InChIKeyCZHBDUBJXOUUFI-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.23
Rot. Bonds7

About N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide

N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 113041327) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID113041327
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)nn2)cc1C
InChIInChI=1S/C20H22N4O3S/c1-15-13-17(9-10-18(15)27-3)28(25,26)23-19-11-12-20(22-21-19)24(2)14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,21,23)
InChIKeyCZHBDUBJXOUUFI-UHFFFAOYSA-N
XLogP3.23
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 113041329
4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038524
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113042890
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113040718
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122303666
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113048599
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide (CID 113041327) is N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)nn2)cc1C.
What is the InChIKey of N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is CZHBDUBJXOUUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15-13-17(9-10-18(15)27-3)28(25,26)23-19-11-12-20(22-21-19)24(2)14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,21,23).
What are the key properties of N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 113041327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).