N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

C21H18F2N2O3S — CID 9165805

IUPACN-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H18F2N2O3S/c1-2-25(17-8-4-3-5-9-17)29(27,28)18-10-6-7-15(13-18)21(26)24-16-11-12-19(22)20(23)14-16/h3-14H,2H2,1H3,(H,24,26)
InChIKeyDMGOLVLEYYXGQA-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.43
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 9165805) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID9165805
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H18F2N2O3S/c1-2-25(17-8-4-3-5-9-17)29(27,28)18-10-6-7-15(13-18)21(26)24-16-11-12-19(22)20(23)14-16/h3-14H,2H2,1H3,(H,24,26)
InChIKeyDMGOLVLEYYXGQA-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

N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55532858
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
CID 1297380
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 35727860
3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 5169190
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 26524233
3-[ethyl(phenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382613
3-[ethyl(phenyl)sulfamoyl]-N-(2-propoxyphenyl)benzamide
CID 112793585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (CID 9165805) is N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is DMGOLVLEYYXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-2-25(17-8-4-3-5-9-17)29(27,28)18-10-6-7-15(13-18)21(26)24-16-11-12-19(22)20(23)14-16/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
N-(3,4-difluorophenyl)-3-[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-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9165805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).