methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate

C22H17N3O4S — CID 46896463

IUPACmethyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc2ccc(-c3ccccn3)nc12
InChIInChI=1S/C22H17N3O4S/c1-29-22(26)16-8-2-3-11-20(16)30(27,28)25-19-10-6-7-15-12-13-18(24-21(15)19)17-9-4-5-14-23-17/h2-14,25H,1H3
InChIKeyQFLIAMYLNJLHQZ-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.88
Rot. Bonds5

About methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate

methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate (PubChem CID 46896463) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate
PubChem CID46896463
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC Namemethyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc2ccc(-c3ccccn3)nc12
InChIInChI=1S/C22H17N3O4S/c1-29-22(26)16-8-2-3-11-20(16)30(27,28)25-19-10-6-7-15-12-13-18(24-21(15)19)17-9-4-5-14-23-17/h2-14,25H,1H3
InChIKeyQFLIAMYLNJLHQZ-UHFFFAOYSA-N
XLogP3.88
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[(2-butylphenyl)sulfamoyl]benzoate
CID 54336773
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 3870610
methyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)benzoate
CID 13176579
methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate
CID 3376237
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate (CID 46896463) is methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1cccc2ccc(-c3ccccn3)nc12.
What is the InChIKey of methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate?
The InChIKey is QFLIAMYLNJLHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c1-29-22(26)16-8-2-3-11-20(16)30(27,28)25-19-10-6-7-15-12-13-18(24-21(15)19)17-9-4-5-14-23-17/h2-14,25H,1H3.
What are the key properties of methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate?
methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate has a molecular weight of 419.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate is sourced from PubChem (CID 46896463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).