3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide

C21H19FN2O3S — CID 109065003

IUPAC3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C21H19FN2O3S/c22-18-11-9-16(10-12-18)13-14-23-28(26,27)20-8-4-5-17(15-20)21(25)24-19-6-2-1-3-7-19/h1-12,15,23H,13-14H2,(H,24,25)
InChIKeyYLRWGFBSRBSACA-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.60
Rot. Bonds7

About 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide

3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide (PubChem CID 109065003) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
PubChem CID109065003
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C21H19FN2O3S/c22-18-11-9-16(10-12-18)13-14-23-28(26,27)20-8-4-5-17(15-20)21(25)24-19-6-2-1-3-7-19/h1-12,15,23H,13-14H2,(H,24,25)
InChIKeyYLRWGFBSRBSACA-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

N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide
CID 109064999
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109064559
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174893416
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide (CID 109065003) is 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide?
The InChIKey is YLRWGFBSRBSACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-18-11-9-16(10-12-18)13-14-23-28(26,27)20-8-4-5-17(15-20)21(25)24-19-6-2-1-3-7-19/h1-12,15,23H,13-14H2,(H,24,25).
What are the key properties of 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide?
3-[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 3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 109065003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).