5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C18H19FN4O4S — CID 26700730

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H19FN4O4S/c1-3-23(4-2)28(26,27)12-6-7-14(19)13(10-12)17(24)20-11-5-8-15-16(9-11)22-18(25)21-15/h5-10H,3-4H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyQPPAXPUSXFTKQF-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.28
Rot. Bonds6

About 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 26700730) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID26700730
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H19FN4O4S/c1-3-23(4-2)28(26,27)12-6-7-14(19)13(10-12)17(24)20-11-5-8-15-16(9-11)22-18(25)21-15/h5-10H,3-4H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyQPPAXPUSXFTKQF-UHFFFAOYSA-N
XLogP2.28
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 26700730) is 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is QPPAXPUSXFTKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c1-3-23(4-2)28(26,27)12-6-7-14(19)13(10-12)17(24)20-11-5-8-15-16(9-11)22-18(25)21-15/h5-10H,3-4H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 406.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 26700730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).