N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide

C15H10F5NO2S — CID 55742418

IUPACN-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H10F5NO2S/c16-14(17)23-11-3-1-2-10(8-11)21-13(22)9-4-6-12(7-5-9)24-15(18,19)20/h1-8,14H,(H,21,22)
InChIKeyIEYMXUWXYBGPAR-UHFFFAOYSA-N
MW363.31 g/mol
LogP5.15
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide

N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 55742418) has the molecular formula C15H10F5NO2S and a molecular weight of 363.31 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID55742418
Molecular FormulaC15H10F5NO2S
Molecular Weight363.31 g/mol
Exact Mass363.04
IUPAC NameN-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H10F5NO2S/c16-14(17)23-11-3-1-2-10(8-11)21-13(22)9-4-6-12(7-5-9)24-15(18,19)20/h1-8,14H,(H,21,22)
InChIKeyIEYMXUWXYBGPAR-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-chloro-N-[3-(difluoromethoxy)phenyl]benzamide
CID 43706007
6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-[3-(difluoromethoxy)phenyl]-5-phenylpyridine-3-carboxamide
CID 174628040
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
CID 71612377
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
N-[3-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 47776622
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 9091999
3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698643

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide (CID 55742418) is N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide is O=C(Nc1cccc(OC(F)F)c1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is IEYMXUWXYBGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NO2S/c16-14(17)23-11-3-1-2-10(8-11)21-13(22)9-4-6-12(7-5-9)24-15(18,19)20/h1-8,14H,(H,21,22).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 363.31 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55742418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).