5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide

C21H27FN2O3S — CID 26218803

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C21H27FN2O3S/c1-6-24(7-2)28(26,27)16-11-12-19(22)18(13-16)21(25)23-20-15(5)9-8-10-17(20)14(3)4/h8-14H,6-7H2,1-5H3,(H,23,25)
InChIKeyJZEQJWQAJHEVCG-UHFFFAOYSA-N
MW406.52 g/mol
LogP4.54
Rot. Bonds7

About 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide

5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide (PubChem CID 26218803) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
PubChem CID26218803
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C21H27FN2O3S/c1-6-24(7-2)28(26,27)16-11-12-19(22)18(13-16)21(25)23-20-15(5)9-8-10-17(20)14(3)4/h8-14H,6-7H2,1-5H3,(H,23,25)
InChIKeyJZEQJWQAJHEVCG-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)-2-methoxybenzamide
CID 19257762
N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide
CID 5158295
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56501828

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide (CID 26218803) is 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C)cccc2C(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The InChIKey is JZEQJWQAJHEVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c1-6-24(7-2)28(26,27)16-11-12-19(22)18(13-16)21(25)23-20-15(5)9-8-10-17(20)14(3)4/h8-14H,6-7H2,1-5H3,(H,23,25).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide has a molecular weight of 406.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 26218803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).