4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide

C21H19FN2O3S — CID 109061758

IUPAC4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H19FN2O3S/c1-14-6-5-7-15(2)20(14)24-28(26,27)17-12-10-16(11-13-17)21(25)23-19-9-4-3-8-18(19)22/h3-13,24H,1-2H3,(H,23,25)
InChIKeyHFDHUVIAXGSIHW-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

About 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide

4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide (PubChem CID 109061758) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
PubChem CID109061758
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H19FN2O3S/c1-14-6-5-7-15(2)20(14)24-28(26,27)17-12-10-16(11-13-17)21(25)23-19-9-4-3-8-18(19)22/h3-13,24H,1-2H3,(H,23,25)
InChIKeyHFDHUVIAXGSIHW-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-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide (CID 109061758) is 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide?
The InChIKey is HFDHUVIAXGSIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-6-5-7-15(2)20(14)24-28(26,27)17-12-10-16(11-13-17)21(25)23-19-9-4-3-8-18(19)22/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide?
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)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 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 109061758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).