N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide

C21H19FN2O3S — CID 109064976

IUPACN-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H19FN2O3S/c22-18-9-5-10-19(15-18)24-21(25)17-8-4-11-20(14-17)28(26,27)23-13-12-16-6-2-1-3-7-16/h1-11,14-15,23H,12-13H2,(H,24,25)
InChIKeyWLLOQSNLWIYQFL-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.60
Rot. Bonds7

About N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide

N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide (PubChem CID 109064976) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
PubChem CID109064976
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H19FN2O3S/c22-18-9-5-10-19(15-18)24-21(25)17-8-4-11-20(14-17)28(26,27)23-13-12-16-6-2-1-3-7-16/h1-11,14-15,23H,12-13H2,(H,24,25)
InChIKeyWLLOQSNLWIYQFL-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109065003
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
N-(3-fluorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064872
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174893416
1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 156828632
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide (CID 109064976) is N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide is O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide?
The InChIKey is WLLOQSNLWIYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-18-9-5-10-19(15-18)24-21(25)17-8-4-11-20(14-17)28(26,27)23-13-12-16-6-2-1-3-7-16/h1-11,14-15,23H,12-13H2,(H,24,25).
What are the key properties of N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide?
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 109064976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).