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

C21H14F5NO4S — CID 173419031

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H14F5NO4S/c22-20(23)31-17-8-4-13(5-9-17)14-2-1-3-15(12-14)19(28)27-16-6-10-18(11-7-16)32(29,30)21(24,25)26/h1-12,20H,(H,27,28)
InChIKeyWLMGHGZRZINXFK-UHFFFAOYSA-N
MW471.40 g/mol
LogP5.50
Rot. Bonds6

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

3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide (PubChem CID 173419031) has the molecular formula C21H14F5NO4S and a molecular weight of 471.40 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide
PubChem CID173419031
Molecular FormulaC21H14F5NO4S
Molecular Weight471.40 g/mol
Exact Mass471.06
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H14F5NO4S/c22-20(23)31-17-8-4-13(5-9-17)14-2-1-3-15(12-14)19(28)27-16-6-10-18(11-7-16)32(29,30)21(24,25)26/h1-12,20H,(H,27,28)
InChIKeyWLMGHGZRZINXFK-UHFFFAOYSA-N
XLogP5.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)phenyl]benzoic acid
CID 71025160
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
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[4-[[4-(difluoromethoxy)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 26800950
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
N-[4-(difluoromethoxy)phenyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 26524631
N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7941196
N-[4-(difluoromethoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 9405047
4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate
CID 2329700
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide (CID 173419031) is 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide?
The InChIKey is WLMGHGZRZINXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5NO4S/c22-20(23)31-17-8-4-13(5-9-17)14-2-1-3-15(12-14)19(28)27-16-6-10-18(11-7-16)32(29,30)21(24,25)26/h1-12,20H,(H,27,28).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide?
3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide has a molecular weight of 471.40 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 173419031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).