N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide

C18H21FN2O3S — CID 26534788

IUPACN-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C18H21FN2O3S/c1-3-21(4-2)25(23,24)17-12-15(10-11-16(17)19)18(22)20-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyWFRLZYNNUDSJER-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.79
Rot. Bonds7

About N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide

N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide (PubChem CID 26534788) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
PubChem CID26534788
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C18H21FN2O3S/c1-3-21(4-2)25(23,24)17-12-15(10-11-16(17)19)18(22)20-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyWFRLZYNNUDSJER-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55769177
3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
CID 4229430
N-benzyl-3,4-difluorobenzamide
CID 1294460
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529902
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 79378930
3-(dimethylsulfamoyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-fluorobenzamide
CID 55796196
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26910714
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide (CID 26534788) is N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1F.
What is the InChIKey of N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is WFRLZYNNUDSJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-21(4-2)25(23,24)17-12-15(10-11-16(17)19)18(22)20-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide?
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 364.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 26534788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).