[4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)

C14H17N6O2RbS — CID 23665361

IUPAC[4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)
SMILESCc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/N(C)C)cc2)n1.[Rb+]
InChIInChI=1S/C14H17N6O2S.Rb/c1-10-9-11(2)16-14(15-10)18-23(21,22)13-7-5-12(6-8-13)17-19-20(3)4;/h5-9H,1-4H3;/q-1;+1/b19-17+;
InChIKeySLWJYSDXPZRPIM-ZJSKVYKZSA-N
MW418.87 g/mol
LogP0.05
Rot. Bonds5

About [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)

[4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+) (PubChem CID 23665361) has the molecular formula C14H17N6O2RbS and a molecular weight of 418.87 g/mol. Its IUPAC name is [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+).

Molecular Properties

Compound Name[4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)
PubChem CID23665361
Molecular FormulaC14H17N6O2RbS
Molecular Weight418.87 g/mol
Exact Mass418.03
IUPAC Name[4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)
SMILESCc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/N(C)C)cc2)n1.[Rb+]
InChIInChI=1S/C14H17N6O2S.Rb/c1-10-9-11(2)16-14(15-10)18-23(21,22)13-7-5-12(6-8-13)17-19-20(3)4;/h5-9H,1-4H3;/q-1;+1/b19-17+;
InChIKeySLWJYSDXPZRPIM-ZJSKVYKZSA-N
XLogP0.05
TPSA101.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.87
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium [4-(azepan-1-yldiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 23665360
CID 6330650
CID 6330650
N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate
CID 3376884
(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 3691554
[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4574778
potassium (1E)-N-[4-(dimethylaminodiazenyl)phenyl]sulfonylbutanimidate
CID 56642968
4-(dimethylaminodiazenyl)aniline
CID 71404531
bis((4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide);nickel(2+);hexakis(pyridine)
CID 139070427
(4,6-dimethylpyrimidin-2-yl)-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]sulfonylazanide
CID 4067833
[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4753597
N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(ethylamino)phenyl]diazenyl]benzenesulfonamide
CID 71495448
potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide
CID 126468671

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)?
The IUPAC name of [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+) (CID 23665361) is [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+).
What is the SMILES notation for [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)?
The canonical SMILES for [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+) is Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/N(C)C)cc2)n1.[Rb+].
What is the InChIKey of [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)?
The InChIKey is SLWJYSDXPZRPIM-ZJSKVYKZSA-N. The full InChI is InChI=1S/C14H17N6O2S.Rb/c1-10-9-11(2)16-14(15-10)18-23(21,22)13-7-5-12(6-8-13)17-19-20(3)4;/h5-9H,1-4H3;/q-1;+1/b19-17+;.
What are the key properties of [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)?
[4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+) has a molecular weight of 418.87 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+) is sourced from PubChem (CID 23665361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).