N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

C21H19FN2O3S — CID 8015612

IUPACN-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C
InChIInChI=1S/C21H19FN2O3S/c1-14-4-3-5-20(15(14)2)23-21(25)16-6-10-18(11-7-16)24-28(26,27)19-12-8-17(22)9-13-19/h3-13,24H,1-2H3,(H,23,25)
InChIKeyJGIKLUCUCAOMLV-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 8015612) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID8015612
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C
InChIInChI=1S/C21H19FN2O3S/c1-14-4-3-5-20(15(14)2)23-21(25)16-6-10-18(11-7-16)24-28(26,27)19-12-8-17(22)9-13-19/h3-13,24H,1-2H3,(H,23,25)
InChIKeyJGIKLUCUCAOMLV-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

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Related Compounds

4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
4-[(4-fluorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18278956
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (CID 8015612) is N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is JGIKLUCUCAOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-4-3-5-20(15(14)2)23-21(25)16-6-10-18(11-7-16)24-28(26,27)19-12-8-17(22)9-13-19/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide 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-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 8015612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).