4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide

C15H20N4O3S — CID 113037875

IUPAC4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)nn1
InChIInChI=1S/C15H20N4O3S/c1-4-9-16-14-7-8-15(18-17-14)19-23(20,21)12-5-6-13(22-3)11(2)10-12/h5-8,10H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyICJWJIRKGKCZSO-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.42
Rot. Bonds7

About 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide

4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113037875) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113037875
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)nn1
InChIInChI=1S/C15H20N4O3S/c1-4-9-16-14-7-8-15(18-17-14)19-23(20,21)12-5-6-13(22-3)11(2)10-12/h5-8,10H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyICJWJIRKGKCZSO-UHFFFAOYSA-N
XLogP2.42
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038524
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113040718
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113048599
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113041327
4-methoxy-3-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326780
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
CID 113039614
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide (CID 113037875) is 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide is CCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)nn1.
What is the InChIKey of 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is ICJWJIRKGKCZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-9-16-14-7-8-15(18-17-14)19-23(20,21)12-5-6-13(22-3)11(2)10-12/h5-8,10H,4,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide?
4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113037875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).