4-[4-(trifluoromethylsulfonyl)phenyl]benzamide

C14H10F3NO3S — CID 11529994

IUPAC4-[4-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H2,18,19)
InChIKeyXZFRBRVQLONLFX-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.75
Rot. Bonds3

About 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide

4-[4-(trifluoromethylsulfonyl)phenyl]benzamide (PubChem CID 11529994) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-(trifluoromethylsulfonyl)phenyl]benzamide
PubChem CID11529994
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC Name4-[4-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H2,18,19)
InChIKeyXZFRBRVQLONLFX-UHFFFAOYSA-N
XLogP2.75
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide?
The IUPAC name of 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide (CID 11529994) is 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide?
The canonical SMILES for 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide?
The InChIKey is XZFRBRVQLONLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H2,18,19).
What are the key properties of 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide?
4-[4-(trifluoromethylsulfonyl)phenyl]benzamide has a molecular weight of 329.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 11529994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).