N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide

C18H26N4O2S — CID 113045199

IUPACN-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)nn1
InChIInChI=1S/C18H26N4O2S/c1-5-11-22(12-6-2)18-10-9-17(19-20-18)21-25(23,24)16-8-7-14(3)13-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyUEFOEDCAKMIUJF-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.52
Rot. Bonds8

About N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide

N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113045199) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID113045199
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)nn1
InChIInChI=1S/C18H26N4O2S/c1-5-11-22(12-6-2)18-10-9-17(19-20-18)21-25(23,24)16-8-7-14(3)13-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyUEFOEDCAKMIUJF-UHFFFAOYSA-N
XLogP3.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113044074
N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 113044839
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587
N-[6-(dipropylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941919
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide (CID 113045199) is N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide is CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)nn1.
What is the InChIKey of N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is UEFOEDCAKMIUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-5-11-22(12-6-2)18-10-9-17(19-20-18)21-25(23,24)16-8-7-14(3)13-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113045199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).