5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide

C20H19FN2O5S — CID 55864747

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C20H19FN2O5S/c1-3-23(4-2)29(26,27)15-7-8-17(21)16(12-15)20(25)22-14-6-9-18-13(11-14)5-10-19(24)28-18/h5-12H,3-4H2,1-2H3,(H,22,25)
InChIKeyMRQYMFJNJSKLIC-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.21
Rot. Bonds6

About 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide

5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide (PubChem CID 55864747) has the molecular formula C20H19FN2O5S and a molecular weight of 418.45 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide
PubChem CID55864747
Molecular FormulaC20H19FN2O5S
Molecular Weight418.45 g/mol
Exact Mass418.10
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C20H19FN2O5S/c1-3-23(4-2)29(26,27)15-7-8-17(21)16(12-15)20(25)22-14-6-9-18-13(11-14)5-10-19(24)28-18/h5-12H,3-4H2,1-2H3,(H,22,25)
InChIKeyMRQYMFJNJSKLIC-UHFFFAOYSA-N
XLogP3.21
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide (CID 55864747) is 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide?
The InChIKey is MRQYMFJNJSKLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5S/c1-3-23(4-2)29(26,27)15-7-8-17(21)16(12-15)20(25)22-14-6-9-18-13(11-14)5-10-19(24)28-18/h5-12H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide has a molecular weight of 418.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 55864747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).