N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide

C21H19FN2O3S — CID 55865230

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-14-5-3-6-15(2)20(14)24-28(26,27)19-11-9-18(10-12-19)23-21(25)16-7-4-8-17(22)13-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeySFYRLNRYYVSQPV-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide (PubChem CID 55865230) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
PubChem CID55865230
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-14-5-3-6-15(2)20(14)24-28(26,27)19-11-9-18(10-12-19)23-21(25)16-7-4-8-17(22)13-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeySFYRLNRYYVSQPV-UHFFFAOYSA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide 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-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17139622
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide (CID 55865230) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide?
The InChIKey is SFYRLNRYYVSQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-5-3-6-15(2)20(14)24-28(26,27)19-11-9-18(10-12-19)23-21(25)16-7-4-8-17(22)13-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide has a molecular weight of 398.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 55865230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).