N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide

C18H19FN2O4S — CID 73389405

IUPACN-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C18H19FN2O4S/c19-14-4-6-15(7-5-14)20-18(22)13-2-1-3-17(12-13)26(23,24)21-16-8-10-25-11-9-16/h1-7,12,16,21H,8-11H2,(H,20,22)
InChIKeyQUUFOGAWKGRUMX-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.54
Rot. Bonds5

About N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide

N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide (PubChem CID 73389405) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide
PubChem CID73389405
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C18H19FN2O4S/c19-14-4-6-15(7-5-14)20-18(22)13-2-1-3-17(12-13)26(23,24)21-16-8-10-25-11-9-16/h1-7,12,16,21H,8-11H2,(H,20,22)
InChIKeyQUUFOGAWKGRUMX-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide (CID 73389405) is N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide is O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)NC2CCOCC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide?
The InChIKey is QUUFOGAWKGRUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-14-4-6-15(7-5-14)20-18(22)13-2-1-3-17(12-13)26(23,24)21-16-8-10-25-11-9-16/h1-7,12,16,21H,8-11H2,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide?
N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(oxan-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 73389405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).