4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C16H12F5NO3S — CID 25402418

IUPAC4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H12F5NO3S/c17-15(18)26(24,25)13-7-3-11(4-8-13)14(23)22-9-10-1-5-12(6-2-10)16(19,20)21/h1-8,15H,9H2,(H,22,23)
InChIKeySSEKJYPHAKJQAS-UHFFFAOYSA-N
MW393.33 g/mol
LogP3.63
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 25402418) has the molecular formula C16H12F5NO3S and a molecular weight of 393.33 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID25402418
Molecular FormulaC16H12F5NO3S
Molecular Weight393.33 g/mol
Exact Mass393.05
IUPAC Name4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H12F5NO3S/c17-15(18)26(24,25)13-7-3-11(4-8-13)14(23)22-9-10-1-5-12(6-2-10)16(19,20)21/h1-8,15H,9H2,(H,22,23)
InChIKeySSEKJYPHAKJQAS-UHFFFAOYSA-N
XLogP3.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515751
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25073174
2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 127042123
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 71168865
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 25402418) is 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is SSEKJYPHAKJQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5NO3S/c17-15(18)26(24,25)13-7-3-11(4-8-13)14(23)22-9-10-1-5-12(6-2-10)16(19,20)21/h1-8,15H,9H2,(H,22,23).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 393.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 25402418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).