2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

C20H26N6O2S — CID 122323705

IUPAC2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)c(C)c3C)nn2)c(C)c1
InChIInChI=1S/C20H26N6O2S/c1-13-6-7-18(14(2)12-13)29(27,28)22-11-10-21-19-8-9-20(24-23-19)26-17(5)15(3)16(4)25-26/h6-9,12,22H,10-11H2,1-5H3,(H,21,23)
InChIKeyZNGWLPMSPFMFIC-UHFFFAOYSA-N
MW414.54 g/mol
LogP2.59
Rot. Bonds7

About 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 122323705) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID122323705
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC Name2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)c(C)c3C)nn2)c(C)c1
InChIInChI=1S/C20H26N6O2S/c1-13-6-7-18(14(2)12-13)29(27,28)22-11-10-21-19-8-9-20(24-23-19)26-17(5)15(3)16(4)25-26/h6-9,12,22H,10-11H2,1-5H3,(H,21,23)
InChIKeyZNGWLPMSPFMFIC-UHFFFAOYSA-N
XLogP2.59
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-4-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]phenyl]acetamide
CID 122323971
3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122323949
3-fluoro-4-methoxy-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122323958
N-[4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
CID 122293238
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122293202
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 56699508
1,3,5-trimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122323865
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122293227
2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide
CID 122293208
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122323625
3-(dimethylamino)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122323826

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (CID 122323705) is 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)c(C)c3C)nn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is ZNGWLPMSPFMFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-13-6-7-18(14(2)12-13)29(27,28)22-11-10-21-19-8-9-20(24-23-19)26-17(5)15(3)16(4)25-26/h6-9,12,22H,10-11H2,1-5H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 414.54 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122323705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).