N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide

C23H23FN2O3S — CID 3476916

IUPACN-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-15-5-8-18(9-6-15)14-25-30(28,29)19-10-11-21(24)20(13-19)23(27)26-22-12-16(2)4-7-17(22)3/h4-13,25H,14H2,1-3H3,(H,26,27)
InChIKeyQXWMBHZYMIONQW-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.48
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide

N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 3476916) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
PubChem CID3476916
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-15-5-8-18(9-6-15)14-25-30(28,29)19-10-11-21(24)20(13-19)23(27)26-22-12-16(2)4-7-17(22)3/h4-13,25H,14H2,1-3H3,(H,26,27)
InChIKeyQXWMBHZYMIONQW-UHFFFAOYSA-N
XLogP4.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]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

2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4169421
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 5001901
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5044331
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
CID 4094024
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide (CID 3476916) is N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide is Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(C)ccc3C)c2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is QXWMBHZYMIONQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-15-5-8-18(9-6-15)14-25-30(28,29)19-10-11-21(24)20(13-19)23(27)26-22-12-16(2)4-7-17(22)3/h4-13,25H,14H2,1-3H3,(H,26,27).
What are the key properties of N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 426.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 3476916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).