methyl 3-(quinolin-8-ylsulfamoyl)benzoate

C17H14N2O4S — CID 31702993

IUPACmethyl 3-(quinolin-8-ylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C17H14N2O4S/c1-23-17(20)13-6-2-8-14(11-13)24(21,22)19-15-9-3-5-12-7-4-10-18-16(12)15/h2-11,19H,1H3
InChIKeyPGWLOACAXMMKEM-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.82
Rot. Bonds4

About methyl 3-(quinolin-8-ylsulfamoyl)benzoate

methyl 3-(quinolin-8-ylsulfamoyl)benzoate (PubChem CID 31702993) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is methyl 3-(quinolin-8-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(quinolin-8-ylsulfamoyl)benzoate
PubChem CID31702993
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Namemethyl 3-(quinolin-8-ylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C17H14N2O4S/c1-23-17(20)13-6-2-8-14(11-13)24(21,22)19-15-9-3-5-12-7-4-10-18-16(12)15/h2-11,19H,1H3
InChIKeyPGWLOACAXMMKEM-UHFFFAOYSA-N
XLogP2.82
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(quinolin-8-ylsulfamoyl)benzoate?
The IUPAC name of methyl 3-(quinolin-8-ylsulfamoyl)benzoate (CID 31702993) is methyl 3-(quinolin-8-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 3-(quinolin-8-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 3-(quinolin-8-ylsulfamoyl)benzoate is COC(=O)c1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of methyl 3-(quinolin-8-ylsulfamoyl)benzoate?
The InChIKey is PGWLOACAXMMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-23-17(20)13-6-2-8-14(11-13)24(21,22)19-15-9-3-5-12-7-4-10-18-16(12)15/h2-11,19H,1H3.
What are the key properties of methyl 3-(quinolin-8-ylsulfamoyl)benzoate?
methyl 3-(quinolin-8-ylsulfamoyl)benzoate has a molecular weight of 342.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(quinolin-8-ylsulfamoyl)benzoate is sourced from PubChem (CID 31702993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).