2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide

C21H26N6O2S — CID 122326776

IUPAC2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cc(C)c(C)cc3C)nn2)nc1
InChIInChI=1S/C21H26N6O2S/c1-14-5-6-19(23-13-14)25-21-8-7-20(26-27-21)22-9-10-24-30(28,29)18-12-16(3)15(2)11-17(18)4/h5-8,11-13,24H,9-10H2,1-4H3,(H,22,26)(H,23,25,27)
InChIKeyNKOHXMKGDJFYCR-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.24
Rot. Bonds8

About 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide

2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 122326776) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID122326776
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cc(C)c(C)cc3C)nn2)nc1
InChIInChI=1S/C21H26N6O2S/c1-14-5-6-19(23-13-14)25-21-8-7-20(26-27-21)22-9-10-24-30(28,29)18-12-16(3)15(2)11-17(18)4/h5-8,11-13,24H,9-10H2,1-4H3,(H,22,26)(H,23,25,27)
InChIKeyNKOHXMKGDJFYCR-UHFFFAOYSA-N
XLogP3.24
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326772
4-methoxy-3-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326780
3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 70702646
4-methoxy-2,5-dimethyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064893
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122327044
N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122327041
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122327016
4-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064548
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
3-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064547
5-chloro-2-methyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289230
3-chloro-2-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122288723

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide (CID 122326776) is 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide is Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cc(C)c(C)cc3C)nn2)nc1.
What is the InChIKey of 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is NKOHXMKGDJFYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-14-5-6-19(23-13-14)25-21-8-7-20(26-27-21)22-9-10-24-30(28,29)18-12-16(3)15(2)11-17(18)4/h5-8,11-13,24H,9-10H2,1-4H3,(H,22,26)(H,23,25,27).
What are the key properties of 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 426.55 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122326776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).