5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide

C16H16N4O2S2 — CID 113045782

IUPAC5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)nn2)c1
InChIInChI=1S/C16H16N4O2S2/c1-11-4-3-5-13(10-11)17-14-7-8-15(19-18-14)20-24(21,22)16-9-6-12(2)23-16/h3-10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUBZOHWVODQNUJF-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.70
Rot. Bonds5

About 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide

5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113045782) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113045782
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)nn2)c1
InChIInChI=1S/C16H16N4O2S2/c1-11-4-3-5-13(10-11)17-14-7-8-15(19-18-14)20-24(21,22)16-9-6-12(2)23-16/h3-10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUBZOHWVODQNUJF-UHFFFAOYSA-N
XLogP3.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113044335
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113047502
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113041587
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide (CID 113045782) is 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)nn2)c1.
What is the InChIKey of 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is UBZOHWVODQNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-11-4-3-5-13(10-11)17-14-7-8-15(19-18-14)20-24(21,22)16-9-6-12(2)23-16/h3-10H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113045782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).