5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide

C20H24FN3O4S — CID 29331887

IUPAC5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C20H24FN3O4S/c1-5-24(6-2)29(27,28)16-10-11-18(21)17(13-16)19(25)22-15-9-7-8-14(12-15)20(26)23(3)4/h7-13H,5-6H2,1-4H3,(H,22,25)
InChIKeyOHFLQOFBHMPUAA-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.81
Rot. Bonds7

About 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide

5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide (PubChem CID 29331887) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
PubChem CID29331887
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C20H24FN3O4S/c1-5-24(6-2)29(27,28)16-10-11-18(21)17(13-16)19(25)22-15-9-7-8-14(12-15)20(26)23(3)4/h7-13H,5-6H2,1-4H3,(H,22,25)
InChIKeyOHFLQOFBHMPUAA-UHFFFAOYSA-N
XLogP2.81
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38255118
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26700730
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
CID 7760043
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096
5-(diethylsulfamoyl)-2-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289053
N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide
CID 38154380
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide (CID 29331887) is 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide?
The InChIKey is OHFLQOFBHMPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-5-24(6-2)29(27,28)16-10-11-18(21)17(13-16)19(25)22-15-9-7-8-14(12-15)20(26)23(3)4/h7-13H,5-6H2,1-4H3,(H,22,25).
What are the key properties of 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide?
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide has a molecular weight of 421.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 29331887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).