2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide

C21H24N4O2S — CID 113044146

IUPAC2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H24N4O2S/c1-16-10-11-17(2)19(15-16)28(26,27)25-21-13-12-20(23-24-21)22-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyDWNSGVYHDRCUHL-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.94
Rot. Bonds8

About 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide

2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113044146) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113044146
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H24N4O2S/c1-16-10-11-17(2)19(15-16)28(26,27)25-21-13-12-20(23-24-21)22-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyDWNSGVYHDRCUHL-UHFFFAOYSA-N
XLogP3.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
3,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113044152
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113038129
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113047502

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide (CID 113044146) is 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1.
What is the InChIKey of 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is DWNSGVYHDRCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-16-10-11-17(2)19(15-16)28(26,27)25-21-13-12-20(23-24-21)22-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide?
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 396.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113044146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).