2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide

C22H18F4N2O3S — CID 5044331

IUPAC2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C22H18F4N2O3S/c1-14-2-4-15(5-3-14)13-27-32(30,31)18-10-11-20(23)19(12-18)21(29)28-17-8-6-16(7-9-17)22(24,25)26/h2-12,27H,13H2,1H3,(H,28,29)
InChIKeyCBAMDDCXGSSBFU-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.88
Rot. Bonds6

About 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide

2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 5044331) has the molecular formula C22H18F4N2O3S and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID5044331
Molecular FormulaC22H18F4N2O3S
Molecular Weight466.46 g/mol
Exact Mass466.10
IUPAC Name2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C22H18F4N2O3S/c1-14-2-4-15(5-3-14)13-27-32(30,31)18-10-11-20(23)19(12-18)21(29)28-17-8-6-16(7-9-17)22(24,25)26/h2-12,27H,13H2,1H3,(H,28,29)
InChIKeyCBAMDDCXGSSBFU-UHFFFAOYSA-N
XLogP4.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4169421
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 5001901
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
CID 4085582
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide (CID 5044331) is 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide is Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CBAMDDCXGSSBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O3S/c1-14-2-4-15(5-3-14)13-27-32(30,31)18-10-11-20(23)19(12-18)21(29)28-17-8-6-16(7-9-17)22(24,25)26/h2-12,27H,13H2,1H3,(H,28,29).
What are the key properties of 2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 466.46 g/mol, XLogP of 4.88, 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-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 5044331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).