4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide

C14H11N7O4S — CID 135489321

IUPAC4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=c1[nH]cc(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(=O)[nH]1
InChIInChI=1S/C14H11N7O4S/c22-12-11(8-17-14(23)18-12)20-19-9-2-4-10(5-3-9)26(24,25)21-13-15-6-1-7-16-13/h1-8H,(H,15,16,21)(H2,17,18,22,23)/b20-19+
InChIKeyAPQQFXUFNABCTH-FMQUCBEESA-N
MW373.35 g/mol
LogP1.07
Rot. Bonds5

About 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide

4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 135489321) has the molecular formula C14H11N7O4S and a molecular weight of 373.35 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID135489321
Molecular FormulaC14H11N7O4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC Name4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=c1[nH]cc(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(=O)[nH]1
InChIInChI=1S/C14H11N7O4S/c22-12-11(8-17-14(23)18-12)20-19-9-2-4-10(5-3-9)26(24,25)21-13-15-6-1-7-16-13/h1-8H,(H,15,16,21)(H2,17,18,22,23)/b20-19+
InChIKeyAPQQFXUFNABCTH-FMQUCBEESA-N
XLogP1.07
TPSA162.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 3021181
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 136857488
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 136740263
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 2121261
4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 135565183

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide (CID 135489321) is 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide is O=c1[nH]cc(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(=O)[nH]1.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is APQQFXUFNABCTH-FMQUCBEESA-N. The full InChI is InChI=1S/C14H11N7O4S/c22-12-11(8-17-14(23)18-12)20-19-9-2-4-10(5-3-9)26(24,25)21-13-15-6-1-7-16-13/h1-8H,(H,15,16,21)(H2,17,18,22,23)/b20-19+.
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 373.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 135489321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).