2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide

C23H22F2N2O3S — CID 5001901

IUPAC2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2F)c(C)c1
InChIInChI=1S/C23H22F2N2O3S/c1-14-10-15(2)22(16(3)11-14)27-23(28)20-12-19(8-9-21(20)25)31(29,30)26-13-17-4-6-18(24)7-5-17/h4-12,26H,13H2,1-3H3,(H,27,28)
InChIKeyBEORXQKKTRRJSW-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.62
Rot. Bonds6

About 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide

2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 5001901) has the molecular formula C23H22F2N2O3S and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID5001901
Molecular FormulaC23H22F2N2O3S
Molecular Weight444.50 g/mol
Exact Mass444.13
IUPAC Name2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2F)c(C)c1
InChIInChI=1S/C23H22F2N2O3S/c1-14-10-15(2)22(16(3)11-14)27-23(28)20-12-19(8-9-21(20)25)31(29,30)26-13-17-4-6-18(24)7-5-17/h4-12,26H,13H2,1-3H3,(H,27,28)
InChIKeyBEORXQKKTRRJSW-UHFFFAOYSA-N
XLogP4.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
CID 4094024
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5044331
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4169421
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide
CID 5158295
N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide
CID 4170548
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide (CID 5001901) is 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2F)c(C)c1.
What is the InChIKey of 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is BEORXQKKTRRJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S/c1-14-10-15(2)22(16(3)11-14)27-23(28)20-12-19(8-9-21(20)25)31(29,30)26-13-17-4-6-18(24)7-5-17/h4-12,26H,13H2,1-3H3,(H,27,28).
What are the key properties of 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide?
2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 444.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 5001901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).