2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide

C17H24N4O2S — CID 113044587

IUPAC2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)nn2)c(C)c1
InChIInChI=1S/C17H24N4O2S/c1-12(2)9-10-18-16-7-8-17(20-19-16)21-24(22,23)15-6-5-13(3)11-14(15)4/h5-8,11-12H,9-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyXZEXLVIOJGVQIX-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.35
Rot. Bonds7

About 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide

2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113044587) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113044587
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)nn2)c(C)c1
InChIInChI=1S/C17H24N4O2S/c1-12(2)9-10-18-16-7-8-17(20-19-16)21-24(22,23)15-6-5-13(3)11-14(15)4/h5-8,11-12H,9-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyXZEXLVIOJGVQIX-UHFFFAOYSA-N
XLogP3.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113045199
5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044623
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 19258297
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113038129
N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125187
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide (CID 113044587) is 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)nn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is XZEXLVIOJGVQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)9-10-18-16-7-8-17(20-19-16)21-24(22,23)15-6-5-13(3)11-14(15)4/h5-8,11-12H,9-10H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide?
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113044587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).