(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate

C18H16N2O5S — CID 2093655

IUPAC(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H16N2O5S/c1-20(2)26(23,24)13-9-7-12(8-10-13)18(22)25-16-11-17(21)19-15-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,21)
InChIKeyMVFKZBZWJVZPHU-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.00
Rot. Bonds4

About (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate

(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate (PubChem CID 2093655) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate
PubChem CID2093655
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H16N2O5S/c1-20(2)26(23,24)13-9-7-12(8-10-13)18(22)25-16-11-17(21)19-15-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,21)
InChIKeyMVFKZBZWJVZPHU-UHFFFAOYSA-N
XLogP2.00
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate (CID 2093655) is (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate?
The InChIKey is MVFKZBZWJVZPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-20(2)26(23,24)13-9-7-12(8-10-13)18(22)25-16-11-17(21)19-15-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,21).
What are the key properties of (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate?
(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate has a molecular weight of 372.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2093655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).