N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide

C19H22BrFN2O3S — CID 52703859

IUPACN-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C19H22BrFN2O3S/c1-3-23(4-2)27(25,26)16-7-5-6-15(13-16)19(24)22-11-10-14-8-9-18(21)17(20)12-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,24)
InChIKeyKDJZNFUCMFJKNR-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.59
Rot. Bonds8

About N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide

N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 52703859) has the molecular formula C19H22BrFN2O3S and a molecular weight of 457.37 g/mol. Its IUPAC name is N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
PubChem CID52703859
Molecular FormulaC19H22BrFN2O3S
Molecular Weight457.37 g/mol
Exact Mass456.05
IUPAC NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C19H22BrFN2O3S/c1-3-23(4-2)27(25,26)16-7-5-6-15(13-16)19(24)22-11-10-14-8-9-18(21)17(20)12-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,24)
InChIKeyKDJZNFUCMFJKNR-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505659
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023
3-[2-[[N-[2-(3-bromo-4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632838
N-[2-(3-chlorophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31251417

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide (CID 52703859) is N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is KDJZNFUCMFJKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O3S/c1-3-23(4-2)27(25,26)16-7-5-6-15(13-16)19(24)22-11-10-14-8-9-18(21)17(20)12-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 457.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 52703859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).