N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide

C23H23FN2O3S — CID 5158295

IUPACN-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F
InChIInChI=1S/C23H23FN2O3S/c1-14-7-5-8-15(2)21(14)25-23(27)19-13-18(11-12-20(19)24)30(28,29)26-22-16(3)9-6-10-17(22)4/h5-13,26H,1-4H3,(H,25,27)
InChIKeyVASLLVVZKMNBHD-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.11
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide

N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide (PubChem CID 5158295) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide
PubChem CID5158295
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F
InChIInChI=1S/C23H23FN2O3S/c1-14-7-5-8-15(2)21(14)25-23(27)19-13-18(11-12-20(19)24)30(28,29)26-22-16(3)9-6-10-17(22)4/h5-13,26H,1-4H3,(H,25,27)
InChIKeyVASLLVVZKMNBHD-UHFFFAOYSA-N
XLogP5.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
CID 4094024
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4088835
5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 26218803
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 4102001
2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 5001901
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide (CID 5158295) is N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide is Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide?
The InChIKey is VASLLVVZKMNBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-14-7-5-8-15(2)21(14)25-23(27)19-13-18(11-12-20(19)24)30(28,29)26-22-16(3)9-6-10-17(22)4/h5-13,26H,1-4H3,(H,25,27).
What are the key properties of N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide?
N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide has a molecular weight of 426.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide is sourced from PubChem (CID 5158295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).