N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide

C16H14F4N2O3S — CID 155545113

IUPACN-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C16H14F4N2O3S/c1-2-26(24,25)22-14-7-6-12(9-13(14)17)21-15(23)10-4-3-5-11(8-10)16(18,19)20/h3-9,22H,2H2,1H3,(H,21,23)
InChIKeyCHDPTYXRYTYOPC-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.86
Rot. Bonds5

About N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide

N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide (PubChem CID 155545113) has the molecular formula C16H14F4N2O3S and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide
PubChem CID155545113
Molecular FormulaC16H14F4N2O3S
Molecular Weight390.36 g/mol
Exact Mass390.07
IUPAC NameN-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C16H14F4N2O3S/c1-2-26(24,25)22-14-7-6-12(9-13(14)17)21-15(23)10-4-3-5-11(8-10)16(18,19)20/h3-9,22H,2H2,1H3,(H,21,23)
InChIKeyCHDPTYXRYTYOPC-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 155550237
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 46542208
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 51566572
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide (CID 155545113) is N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1F.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CHDPTYXRYTYOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3S/c1-2-26(24,25)22-14-7-6-12(9-13(14)17)21-15(23)10-4-3-5-11(8-10)16(18,19)20/h3-9,22H,2H2,1H3,(H,21,23).
What are the key properties of N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide?
N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 390.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155545113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).