2-benzylsulfonyl-N-(4-fluorophenyl)benzamide

C20H16FNO3S — CID 6457202

IUPAC2-benzylsulfonyl-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H16FNO3S/c21-16-10-12-17(13-11-16)22-20(23)18-8-4-5-9-19(18)26(24,25)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyMZUGFRUWKFOESE-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.05
Rot. Bonds5

About 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide

2-benzylsulfonyl-N-(4-fluorophenyl)benzamide (PubChem CID 6457202) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(4-fluorophenyl)benzamide
PubChem CID6457202
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name2-benzylsulfonyl-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H16FNO3S/c21-16-10-12-17(13-11-16)22-20(23)18-8-4-5-9-19(18)26(24,25)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyMZUGFRUWKFOESE-UHFFFAOYSA-N
XLogP4.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
2-benzylsulfonyl-N-(2-phenylethyl)benzamide
CID 5297896
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide
CID 162627522
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17224948
2-[(2-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 7941056
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
CID 70708699

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide (CID 6457202) is 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide?
The InChIKey is MZUGFRUWKFOESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c21-16-10-12-17(13-11-16)22-20(23)18-8-4-5-9-19(18)26(24,25)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23).
What are the key properties of 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide?
2-benzylsulfonyl-N-(4-fluorophenyl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 6457202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).