N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide

C16H15N7O4S2 — CID 4626550

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/c3c(O)[nH]c(=S)[nH]c3=O)cc2)n1
InChIInChI=1S/C16H15N7O4S2/c1-8-7-9(2)18-15(17-8)23-29(26,27)11-5-3-10(4-6-11)21-22-12-13(24)19-16(28)20-14(12)25/h3-7H,1-2H3,(H,17,18,23)(H3,19,20,24,25,28)/b22-21+
InChIKeyAMIANNOEUKEHJD-QURGRASLSA-N
MW433.48 g/mol
LogP2.76
Rot. Bonds5

About N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide (PubChem CID 4626550) has the molecular formula C16H15N7O4S2 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide
PubChem CID4626550
Molecular FormulaC16H15N7O4S2
Molecular Weight433.48 g/mol
Exact Mass433.06
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/c3c(O)[nH]c(=S)[nH]c3=O)cc2)n1
InChIInChI=1S/C16H15N7O4S2/c1-8-7-9(2)18-15(17-8)23-29(26,27)11-5-3-10(4-6-11)21-22-12-13(24)19-16(28)20-14(12)25/h3-7H,1-2H3,(H,17,18,23)(H3,19,20,24,25,28)/b22-21+
InChIKeyAMIANNOEUKEHJD-QURGRASLSA-N
XLogP2.76
TPSA165.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 766619
N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(ethylamino)phenyl]diazenyl]benzenesulfonamide
CID 71495448
4-[(2,6-diamino-4-oxo-1,3-thiazin-5-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 136677867
methyl 4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoate
CID 939169
5-[(4-ethoxyphenyl)diazenyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 920944
2-[[3-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]phenyl]sulfonylamino]benzoic acid
CID 4844022
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-(4,6-dimethylpyrimidin-2-yl)-4-[[(E)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]benzenesulfonamide
CID 135418668
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 25043447

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide (CID 4626550) is N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/c3c(O)[nH]c(=S)[nH]c3=O)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide?
The InChIKey is AMIANNOEUKEHJD-QURGRASLSA-N. The full InChI is InChI=1S/C16H15N7O4S2/c1-8-7-9(2)18-15(17-8)23-29(26,27)11-5-3-10(4-6-11)21-22-12-13(24)19-16(28)20-14(12)25/h3-7H,1-2H3,(H,17,18,23)(H3,19,20,24,25,28)/b22-21+.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide has a molecular weight of 433.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 4626550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).