N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide

C21H19FN2O3S — CID 109064640

IUPACN-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C21H19FN2O3S/c1-15(16-8-3-2-4-9-16)24-28(26,27)18-11-7-10-17(14-18)21(25)23-20-13-6-5-12-19(20)22/h2-15,24H,1H3,(H,23,25)
InChIKeyXGNYSNLRQBMXJP-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.12
Rot. Bonds6

About N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide

N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide (PubChem CID 109064640) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
PubChem CID109064640
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C21H19FN2O3S/c1-15(16-8-3-2-4-9-16)24-28(26,27)18-11-7-10-17(14-18)21(25)23-20-13-6-5-12-19(20)22/h2-15,24H,1H3,(H,23,25)
InChIKeyXGNYSNLRQBMXJP-UHFFFAOYSA-N
XLogP4.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 112830987
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 26010937
N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26691619
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 25362186
3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
CID 78887682

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide (CID 109064640) is N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide is CC(NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide?
The InChIKey is XGNYSNLRQBMXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-15(16-8-3-2-4-9-16)24-28(26,27)18-11-7-10-17(14-18)21(25)23-20-13-6-5-12-19(20)22/h2-15,24H,1H3,(H,23,25).
What are the key properties of N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide?
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 109064640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).