5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide

C17H17F3N2O3S — CID 51158899

IUPAC5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H17F3N2O3S/c1-3-22(4-2)26(24,25)11-8-9-13(18)12(10-11)17(23)21-16-14(19)6-5-7-15(16)20/h5-10H,3-4H2,1-2H3,(H,21,23)
InChIKeyVLWDGKYHZQLTCZ-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.39
Rot. Bonds6

About 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide

5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide (PubChem CID 51158899) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
PubChem CID51158899
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H17F3N2O3S/c1-3-22(4-2)26(24,25)11-8-9-13(18)12(10-11)17(23)21-16-14(19)6-5-7-15(16)20/h5-10H,3-4H2,1-2H3,(H,21,23)
InChIKeyVLWDGKYHZQLTCZ-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 26218803
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38255118

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide (CID 51158899) is 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide?
The InChIKey is VLWDGKYHZQLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-3-22(4-2)26(24,25)11-8-9-13(18)12(10-11)17(23)21-16-14(19)6-5-7-15(16)20/h5-10H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide?
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide has a molecular weight of 386.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 51158899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).