2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide

C21H16F3NO4S2 — CID 24945074

IUPAC2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide
SMILESCOc1ccc(-c2ccc(Sc3ccccc3C(=O)NS(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H16F3NO4S2/c1-29-16-10-6-14(7-11-16)15-8-12-17(13-9-15)30-19-5-3-2-4-18(19)20(26)25-31(27,28)21(22,23)24/h2-13H,1H3,(H,25,26)
InChIKeyKFRKYNDRKMZPFA-UHFFFAOYSA-N
MW467.49 g/mol
LogP5.09
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide

2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide (PubChem CID 24945074) has the molecular formula C21H16F3NO4S2 and a molecular weight of 467.49 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide
PubChem CID24945074
Molecular FormulaC21H16F3NO4S2
Molecular Weight467.49 g/mol
Exact Mass467.05
IUPAC Name2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide
SMILESCOc1ccc(-c2ccc(Sc3ccccc3C(=O)NS(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H16F3NO4S2/c1-29-16-10-6-14(7-11-16)15-8-12-17(13-9-15)30-19-5-3-2-4-18(19)20(26)25-31(27,28)21(22,23)24/h2-13H,1H3,(H,25,26)
InChIKeyKFRKYNDRKMZPFA-UHFFFAOYSA-N
XLogP5.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide (CID 24945074) is 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide is COc1ccc(-c2ccc(Sc3ccccc3C(=O)NS(=O)(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is KFRKYNDRKMZPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO4S2/c1-29-16-10-6-14(7-11-16)15-8-12-17(13-9-15)30-19-5-3-2-4-18(19)20(26)25-31(27,28)21(22,23)24/h2-13H,1H3,(H,25,26).
What are the key properties of 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide?
2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 467.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenyl]sulfanyl-N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 24945074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).