3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide

C22H21FN2O4S — CID 51547155

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3F)c2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-3-29-18-10-8-17(9-11-18)25-30(27,28)19-6-4-5-16(14-19)22(26)24-21-12-7-15(2)13-20(21)23/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyWZQASXBKMVBOPG-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.59
Rot. Bonds7

About 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide

3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide (PubChem CID 51547155) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
PubChem CID51547155
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3F)c2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-3-29-18-10-8-17(9-11-18)25-30(27,28)19-6-4-5-16(14-19)22(26)24-21-12-7-15(2)13-20(21)23/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyWZQASXBKMVBOPG-UHFFFAOYSA-N
XLogP4.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)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

3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875
3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
CID 5061186
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide (CID 51547155) is 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3F)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide?
The InChIKey is WZQASXBKMVBOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-3-29-18-10-8-17(9-11-18)25-30(27,28)19-6-4-5-16(14-19)22(26)24-21-12-7-15(2)13-20(21)23/h4-14,25H,3H2,1-2H3,(H,24,26).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 51547155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).