4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide

C21H19FN2O3S — CID 109061048

IUPAC4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c22-18-10-6-16(7-11-18)14-15-23-28(26,27)20-12-8-17(9-13-20)21(25)24-19-4-2-1-3-5-19/h1-13,23H,14-15H2,(H,24,25)
InChIKeyXDCLWHISYWWFBW-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.60
Rot. Bonds7

About 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide

4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide (PubChem CID 109061048) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
PubChem CID109061048
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c22-18-10-6-16(7-11-18)14-15-23-28(26,27)20-12-8-17(9-13-20)21(25)24-19-4-2-1-3-5-19/h1-13,23H,14-15H2,(H,24,25)
InChIKeyXDCLWHISYWWFBW-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
4-fluoro-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191610
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide (CID 109061048) is 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide?
The InChIKey is XDCLWHISYWWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-18-10-6-16(7-11-18)14-15-23-28(26,27)20-12-8-17(9-13-20)21(25)24-19-4-2-1-3-5-19/h1-13,23H,14-15H2,(H,24,25).
What are the key properties of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide?
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide 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 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 109061048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).