3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide

C21H18F2N2O4S — CID 5061186

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-2-29-17-8-6-15(7-9-17)24-21(26)14-4-3-5-16(12-14)25-30(27,28)18-10-11-19(22)20(23)13-18/h3-13,25H,2H2,1H3,(H,24,26)
InChIKeyVZCLQESISCHCJR-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.42
Rot. Bonds7

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 5061186) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
PubChem CID5061186
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-2-29-17-8-6-15(7-9-17)24-21(26)14-4-3-5-16(12-14)25-30(27,28)18-10-11-19(22)20(23)13-18/h3-13,25H,2H2,1H3,(H,24,26)
InChIKeyVZCLQESISCHCJR-UHFFFAOYSA-N
XLogP4.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 30860583
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55526457
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 51547155
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26656829
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide (CID 5061186) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)cc1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is VZCLQESISCHCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c1-2-29-17-8-6-15(7-9-17)24-21(26)14-4-3-5-16(12-14)25-30(27,28)18-10-11-19(22)20(23)13-18/h3-13,25H,2H2,1H3,(H,24,26).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 432.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 5061186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).