N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide

C23H22F2N2O3S — CID 18893361

IUPACN-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1
InChIInChI=1S/C23H22F2N2O3S/c1-3-15-8-7-9-16(4-2)22(15)27-31(29,30)17-12-13-21(20(25)14-17)26-23(28)18-10-5-6-11-19(18)24/h5-14,27H,3-4H2,1-2H3,(H,26,28)
InChIKeyOWFMRKLBFQPCLG-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.14
Rot. Bonds7

About N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide

N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide (PubChem CID 18893361) has the molecular formula C23H22F2N2O3S and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
PubChem CID18893361
Molecular FormulaC23H22F2N2O3S
Molecular Weight444.50 g/mol
Exact Mass444.13
IUPAC NameN-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1
InChIInChI=1S/C23H22F2N2O3S/c1-3-15-8-7-9-16(4-2)22(15)27-31(29,30)17-12-13-21(20(25)14-17)26-23(28)18-10-5-6-11-19(18)24/h5-14,27H,3-4H2,1-2H3,(H,26,28)
InChIKeyOWFMRKLBFQPCLG-UHFFFAOYSA-N
XLogP5.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 18893279
2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893315
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
2-fluoro-N-[2-fluoro-4-(3-hydroxypropylsulfamoyl)phenyl]benzamide
CID 18893237
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893309
N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
CID 75435489
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide (CID 18893361) is N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide is CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1.
What is the InChIKey of N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide?
The InChIKey is OWFMRKLBFQPCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S/c1-3-15-8-7-9-16(4-2)22(15)27-31(29,30)17-12-13-21(20(25)14-17)26-23(28)18-10-5-6-11-19(18)24/h5-14,27H,3-4H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide?
N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide has a molecular weight of 444.50 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide is sourced from PubChem (CID 18893361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).