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

C16H22N4O3S — CID 113038524

IUPAC4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCC(C)C)nn2)cc1C
InChIInChI=1S/C16H22N4O3S/c1-11(2)10-17-15-7-8-16(19-18-15)20-24(21,22)13-5-6-14(23-4)12(3)9-13/h5-9,11H,10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyLPHWAZUBTJRDCD-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.66
Rot. Bonds7

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

4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113038524) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113038524
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCC(C)C)nn2)cc1C
InChIInChI=1S/C16H22N4O3S/c1-11(2)10-17-15-7-8-16(19-18-15)20-24(21,22)13-5-6-14(23-4)12(3)9-13/h5-9,11H,10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyLPHWAZUBTJRDCD-UHFFFAOYSA-N
XLogP2.66
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
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-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113041327
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113048599
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038545
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 113044338
4-methoxy-3-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326780

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide (CID 113038524) is 4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCC(C)C)nn2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is LPHWAZUBTJRDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11(2)10-17-15-7-8-16(19-18-15)20-24(21,22)13-5-6-14(23-4)12(3)9-13/h5-9,11H,10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide?
4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 2.66, 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-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113038524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).