4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide

C10H11N7O3S — CID 135442544

IUPAC4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide
SMILESNc1nc(N)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1
InChIInChI=1S/C10H11N7O3S/c11-8-7(9(18)15-10(12)14-8)17-16-5-1-3-6(4-2-5)21(13,19)20/h1-4H,(H2,13,19,20)(H5,11,12,14,15,18)/b17-16+
InChIKeyVGUWZPDGJHXELG-WUKNDPDISA-N
MW309.31 g/mol
LogP-0.00
Rot. Bonds3

About 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide

4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide (PubChem CID 135442544) has the molecular formula C10H11N7O3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide
PubChem CID135442544
Molecular FormulaC10H11N7O3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide
SMILESNc1nc(N)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1
InChIInChI=1S/C10H11N7O3S/c11-8-7(9(18)15-10(12)14-8)17-16-5-1-3-6(4-2-5)21(13,19)20/h1-4H,(H2,13,19,20)(H5,11,12,14,15,18)/b17-16+
InChIKeyVGUWZPDGJHXELG-WUKNDPDISA-N
XLogP-0.00
TPSA182.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
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

2,4-Diamino-6-hydroxy-5-phenylazopyrimidine
CID 135403411
4-((6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)diazenyl)benzenesulfonamide
CID 271063
(E)-4-(2-(4-hydroxy-6-oxo-2-thioxo-1,6-dihydropyrimidin-5(2H)-ylidene)hydrazinyl)benzenesulfonamide
CID 1943596
4-[(2Z)-2-(2-amino-4,6-dioxo-1H-pyrimidin-5-ylidene)hydrazinyl]benzenesulfonamide
CID 1623874
4-Hydroxysulfadiazine
CID 462433
4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide
CID 135484580
(E)-N,N-diethyl-4-(2-(2-hydroxy-4-imino-6-oxo-1,6-dihydropyrimidin-5(4H)-ylidene)hydrazinyl)benzenesulfonamide
CID 2313975
4-Hydroxysulfamerazine
CID 135408656
6-Desmethylsulfadimethoxine
CID 124812
2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonic acid
CID 135454720
4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide
CID 135449142
4-Amino-N-(6-amino-4-oxo-4,5-dihydropyrimidin-2-yl)benzenesulfonamide
CID 154734778

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide (CID 135442544) is 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide is Nc1nc(N)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1.
What is the InChIKey of 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide?
The InChIKey is VGUWZPDGJHXELG-WUKNDPDISA-N. The full InChI is InChI=1S/C10H11N7O3S/c11-8-7(9(18)15-10(12)14-8)17-16-5-1-3-6(4-2-5)21(13,19)20/h1-4H,(H2,13,19,20)(H5,11,12,14,15,18)/b17-16+.
What are the key properties of 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide?
4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of -0.00, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135442544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).