N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide

C19H20N8O2S — CID 122290051

IUPACN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2ccc(-n3cccn3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C19H20N8O2S/c1-15-24-18(14-19(25-15)27-13-3-9-22-27)20-10-11-23-30(28,29)17-6-4-16(5-7-17)26-12-2-8-21-26/h2-9,12-14,23H,10-11H2,1H3,(H,20,24,25)
InChIKeyQMDGNMSVVHLJJJ-UHFFFAOYSA-N
MW424.49 g/mol
LogP1.55
Rot. Bonds8

About N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 122290051) has the molecular formula C19H20N8O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID122290051
Molecular FormulaC19H20N8O2S
Molecular Weight424.49 g/mol
Exact Mass424.14
IUPAC NameN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2ccc(-n3cccn3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C19H20N8O2S/c1-15-24-18(14-19(25-15)27-13-3-9-22-27)20-10-11-23-30(28,29)17-6-4-16(5-7-17)26-12-2-8-21-26/h2-9,12-14,23H,10-11H2,1H3,(H,20,24,25)
InChIKeyQMDGNMSVVHLJJJ-UHFFFAOYSA-N
XLogP1.55
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide with MolForge

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Related Compounds

N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 122290039
4-fluoro-2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122290038
2,4-dimethoxy-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 121072562
1-(3-methylphenyl)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122290006
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122289795
4-iodo-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308806
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308771
5-bromo-2-ethoxy-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 121074745
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-dihydroacenaphthylene-3-sulfonamide
CID 30868129
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122327044
N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 99980110
4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292941

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 122290051) is N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide is Cc1nc(NCCNS(=O)(=O)c2ccc(-n3cccn3)cc2)cc(-n2cccn2)n1.
What is the InChIKey of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is QMDGNMSVVHLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2S/c1-15-24-18(14-19(25-15)27-13-3-9-22-27)20-10-11-23-30(28,29)17-6-4-16(5-7-17)26-12-2-8-21-26/h2-9,12-14,23H,10-11H2,1H3,(H,20,24,25).
What are the key properties of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 424.49 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 122290051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).