4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide

C19H14N10O2S2 — CID 4034452

IUPAC4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide
SMILESNc1nc(=S)c2[nH]c(/N=N/c3ccc(S(=O)(=O)Nc4cnc5ccccc5n4)cc3)nc2[nH]1
InChIInChI=1S/C19H14N10O2S2/c20-18-24-16-15(17(32)26-18)23-19(25-16)28-27-10-5-7-11(8-6-10)33(30,31)29-14-9-21-12-3-1-2-4-13(12)22-14/h1-9H,(H,22,29)(H4,20,23,24,25,26,32)/b28-27+
InChIKeyNLYCARYGQCALRQ-BYYHNAKLSA-N
MW478.52 g/mol
LogP3.76
Rot. Bonds5

About 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide

4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide (PubChem CID 4034452) has the molecular formula C19H14N10O2S2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide
PubChem CID4034452
Molecular FormulaC19H14N10O2S2
Molecular Weight478.52 g/mol
Exact Mass478.07
IUPAC Name4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide
SMILESNc1nc(=S)c2[nH]c(/N=N/c3ccc(S(=O)(=O)Nc4cnc5ccccc5n4)cc3)nc2[nH]1
InChIInChI=1S/C19H14N10O2S2/c20-18-24-16-15(17(32)26-18)23-19(25-16)28-27-10-5-7-11(8-6-10)33(30,31)29-14-9-21-12-3-1-2-4-13(12)22-14/h1-9H,(H,22,29)(H4,20,23,24,25,26,32)/b28-27+
InChIKeyNLYCARYGQCALRQ-BYYHNAKLSA-N
XLogP3.76
TPSA180.05 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide (CID 4034452) is 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide is Nc1nc(=S)c2[nH]c(/N=N/c3ccc(S(=O)(=O)Nc4cnc5ccccc5n4)cc3)nc2[nH]1.
What is the InChIKey of 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide?
The InChIKey is NLYCARYGQCALRQ-BYYHNAKLSA-N. The full InChI is InChI=1S/C19H14N10O2S2/c20-18-24-16-15(17(32)26-18)23-19(25-16)28-27-10-5-7-11(8-6-10)33(30,31)29-14-9-21-12-3-1-2-4-13(12)22-14/h1-9H,(H,22,29)(H4,20,23,24,25,26,32)/b28-27+.
What are the key properties of 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide?
4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide has a molecular weight of 478.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]-N-quinoxalin-2-ylbenzenesulfonamide is sourced from PubChem (CID 4034452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).