2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid

C22H19N2O5PS — CID 67283637

IUPAC2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid
SMILESCS(=O)(=O)Nc1cc(-c2cccc3ccccc23)c2nc(C=CP(=O)(O)O)ccc2c1
InChIInChI=1S/C22H19N2O5PS/c1-31(28,29)24-18-13-16-9-10-17(11-12-30(25,26)27)23-22(16)21(14-18)20-8-4-6-15-5-2-3-7-19(15)20/h2-14,24H,1H3,(H2,25,26,27)
InChIKeySVHHSVJARFWPGW-UHFFFAOYSA-N
MW454.44 g/mol
LogP4.57
Rot. Bonds5

About 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid

2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid (PubChem CID 67283637) has the molecular formula C22H19N2O5PS and a molecular weight of 454.44 g/mol. Its IUPAC name is 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid.

Molecular Properties

Compound Name2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid
PubChem CID67283637
Molecular FormulaC22H19N2O5PS
Molecular Weight454.44 g/mol
Exact Mass454.08
IUPAC Name2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid
SMILESCS(=O)(=O)Nc1cc(-c2cccc3ccccc23)c2nc(C=CP(=O)(O)O)ccc2c1
InChIInChI=1S/C22H19N2O5PS/c1-31(28,29)24-18-13-16-9-10-17(11-12-30(25,26)27)23-22(16)21(14-18)20-8-4-6-15-5-2-3-7-19(15)20/h2-14,24H,1H3,(H2,25,26,27)
InChIKeySVHHSVJARFWPGW-UHFFFAOYSA-N
XLogP4.57
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid?
The IUPAC name of 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid (CID 67283637) is 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid.
What is the SMILES notation for 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid?
The canonical SMILES for 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid is CS(=O)(=O)Nc1cc(-c2cccc3ccccc23)c2nc(C=CP(=O)(O)O)ccc2c1.
What is the InChIKey of 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid?
The InChIKey is SVHHSVJARFWPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N2O5PS/c1-31(28,29)24-18-13-16-9-10-17(11-12-30(25,26)27)23-22(16)21(14-18)20-8-4-6-15-5-2-3-7-19(15)20/h2-14,24H,1H3,(H2,25,26,27).
What are the key properties of 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid?
2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid has a molecular weight of 454.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid is sourced from PubChem (CID 67283637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).