2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide

C16H17N5O5S — CID 113051800

IUPAC2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)nn2)c1
InChIInChI=1S/C16H17N5O5S/c1-10-8-16(20-26-10)17-14-6-7-15(19-18-14)21-27(22,23)13-9-11(24-2)4-5-12(13)25-3/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyBWODLRYNMDRHIS-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.33
Rot. Bonds7

About 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide

2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 113051800) has the molecular formula C16H17N5O5S and a molecular weight of 391.41 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
PubChem CID113051800
Molecular FormulaC16H17N5O5S
Molecular Weight391.41 g/mol
Exact Mass391.10
IUPAC Name2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)nn2)c1
InChIInChI=1S/C16H17N5O5S/c1-10-8-16(20-26-10)17-14-6-7-15(19-18-14)21-27(22,23)13-9-11(24-2)4-5-12(13)25-3/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyBWODLRYNMDRHIS-UHFFFAOYSA-N
XLogP2.33
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxy-5-methyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]benzenesulfonamide
CID 113023382
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370292
4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113051818
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725
N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113051812
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113051790
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide (CID 113051800) is 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)nn2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is BWODLRYNMDRHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O5S/c1-10-8-16(20-26-10)17-14-6-7-15(19-18-14)21-27(22,23)13-9-11(24-2)4-5-12(13)25-3/h4-9H,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide?
2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 391.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113051800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).