5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide

C23H31FN2O3S — CID 26102432

IUPAC5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C23H31FN2O3S/c1-7-26(8-2)30(28,29)17-12-13-21(24)20(14-17)23(27)25-22-18(15(3)4)10-9-11-19(22)16(5)6/h9-16H,7-8H2,1-6H3,(H,25,27)
InChIKeyWCPRRVBRQMFXPD-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.36
Rot. Bonds8

About 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide

5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide (PubChem CID 26102432) has the molecular formula C23H31FN2O3S and a molecular weight of 434.58 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
PubChem CID26102432
Molecular FormulaC23H31FN2O3S
Molecular Weight434.58 g/mol
Exact Mass434.20
IUPAC Name5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C23H31FN2O3S/c1-7-26(8-2)30(28,29)17-12-13-21(24)20(14-17)23(27)25-22-18(15(3)4)10-9-11-19(22)16(5)6/h9-16H,7-8H2,1-6H3,(H,25,27)
InChIKeyWCPRRVBRQMFXPD-UHFFFAOYSA-N
XLogP5.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 26218803
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
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
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38255118
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide (CID 26102432) is 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide?
The InChIKey is WCPRRVBRQMFXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O3S/c1-7-26(8-2)30(28,29)17-12-13-21(24)20(14-17)23(27)25-22-18(15(3)4)10-9-11-19(22)16(5)6/h9-16H,7-8H2,1-6H3,(H,25,27).
What are the key properties of 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide?
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide has a molecular weight of 434.58 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 26102432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).