2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide

C12H13N3O3S — CID 123681136

IUPAC2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C12H13N3O3S/c1-9-5-6-10(18-2)11(8-9)19(16,17)15-12-4-3-7-13-14-12/h3-8H,1-2H3,(H,14,15)
InChIKeyQFVDADOZSCTFFB-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.59
Rot. Bonds4

About 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide

2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 123681136) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID123681136
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C12H13N3O3S/c1-9-5-6-10(18-2)11(8-9)19(16,17)15-12-4-3-7-13-14-12/h3-8H,1-2H3,(H,14,15)
InChIKeyQFVDADOZSCTFFB-UHFFFAOYSA-N
XLogP1.59
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 104821473
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 113041329
2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039734
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 166351087
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide (CID 123681136) is 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is QFVDADOZSCTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-9-5-6-10(18-2)11(8-9)19(16,17)15-12-4-3-7-13-14-12/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide?
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 123681136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).