4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C17H24N6O2S — CID 23276786

IUPAC4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCCCCN(C)/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C17H24N6O2S/c1-4-5-6-13-23(3)22-20-15-7-9-16(10-8-15)26(24,25)21-17-18-12-11-14(2)19-17/h7-12H,4-6,13H2,1-3H3,(H,18,19,21)/b22-20+
InChIKeyMURQHRLSIBFKDH-LSDHQDQOSA-N
MW376.49 g/mol
LogP3.71
Rot. Bonds9

About 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 23276786) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID23276786
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCCCCN(C)/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C17H24N6O2S/c1-4-5-6-13-23(3)22-20-15-7-9-16(10-8-15)26(24,25)21-17-18-12-11-14(2)19-17/h7-12H,4-6,13H2,1-3H3,(H,18,19,21)/b22-20+
InChIKeyMURQHRLSIBFKDH-LSDHQDQOSA-N
XLogP3.71
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 23276786) is 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is CCCCCN(C)/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1.
What is the InChIKey of 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is MURQHRLSIBFKDH-LSDHQDQOSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-4-5-6-13-23(3)22-20-15-7-9-16(10-8-15)26(24,25)21-17-18-12-11-14(2)19-17/h7-12H,4-6,13H2,1-3H3,(H,18,19,21)/b22-20+.
What are the key properties of 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 376.49 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 23276786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).