N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide

C21H18F2N2O3S — CID 2711419

IUPACN-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C21H18F2N2O3S/c1-2-25(17-6-4-3-5-7-17)29(27,28)18-11-8-15(9-12-18)21(26)24-20-14-16(22)10-13-19(20)23/h3-14H,2H2,1H3,(H,24,26)
InChIKeyBLQOSPHWARATCC-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.43
Rot. Bonds6

About N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide

N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 2711419) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID2711419
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C21H18F2N2O3S/c1-2-25(17-6-4-3-5-7-17)29(27,28)18-11-8-15(9-12-18)21(26)24-20-14-16(22)10-13-19(20)23/h3-14H,2H2,1H3,(H,24,26)
InChIKeyBLQOSPHWARATCC-UHFFFAOYSA-N
XLogP4.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 4797097
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587626
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226
4-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60518994
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 28591606
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-(2,5-difluorophenyl)-4-phenylbenzamide
CID 7958887
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 2711419) is N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is BLQOSPHWARATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-2-25(17-6-4-3-5-7-17)29(27,28)18-11-8-15(9-12-18)21(26)24-20-14-16(22)10-13-19(20)23/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2711419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).