potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron

C22H19Cl2KN8O8S2 — CID 173063205

About potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron

potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron (PubChem CID 173063205) has the molecular formula C22H19Cl2KN8O8S2 and a molecular weight of 697.58 g/mol. Its IUPAC name is potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron.

Molecular Properties

• Compound Name: potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron
• PubChem CID: 173063205
• Molecular Formula: C22H19Cl2KN8O8S2
• Molecular Weight: 697.58 g/mol
• Exact Mass: 695.98
• IUPAC Name: potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron
• SMILES: COc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Cl)nc(OC)n4)cc3S(=O)(=O)O)c(S(=O)(=O)[O-])c2)n1.[H+].[H-].[K+]
• InChI: InChI=1S/C22H18Cl2N8O8S2.K.H/c1-39-21-29-17(23)27-19(31-21)25-13-7-5-11(15(9-13)41(33,34)35)3-4-12-6-8-14(10-16(12)42(36,37)38)26-20-28-18(24)30-22(32-20)40-2;;/h3-10H,1-2H3,(H,33,34,35)(H,36,37,38)(H,25,27,29,31)(H,26,28,30,32);;/q;+1;-1
• InChIKey: AYXGRBRGIQREBB-UHFFFAOYSA-N
• XLogP: 0.42
• TPSA: 231.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.58
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron?

The IUPAC name of potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron (CID 173063205) is potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron.

What is the SMILES notation for potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron?

The canonical SMILES for potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron is COc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Cl)nc(OC)n4)cc3S(=O)(=O)O)c(S(=O)(=O)[O-])c2)n1.[H+].[H-].[K+].

What is the InChIKey of potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron?

The InChIKey is AYXGRBRGIQREBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N8O8S2.K.H/c1-39-21-29-17(23)27-19(31-21)25-13-7-5-11(15(9-13)41(33,34)35)3-4-12-6-8-14(10-16(12)42(36,37)38)26-20-28-18(24)30-22(32-20)40-2;;/h3-10H,1-2H3,(H,33,34,35)(H,36,37,38)(H,25,27,29,31)(H,26,28,30,32);;/q;+1;-1.

What are the key properties of potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron?

potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron has a molecular weight of 697.58 g/mol, XLogP of 0.42, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonate;hydride;hydron is sourced from PubChem (CID 173063205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).