4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide

C16H15F3N2O3S — CID 1306081

IUPAC4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-21(25(2,23)24)12-9-7-11(8-10-12)15(22)20-14-6-4-3-5-13(14)16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyHQQJQJMFPRGSDW-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.35
Rot. Bonds4

About 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide

4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 1306081) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID1306081
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-21(25(2,23)24)12-9-7-11(8-10-12)15(22)20-14-6-4-3-5-13(14)16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyHQQJQJMFPRGSDW-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide (CID 1306081) is 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide is CN(c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HQQJQJMFPRGSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-21(25(2,23)24)12-9-7-11(8-10-12)15(22)20-14-6-4-3-5-13(14)16(17,18)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 372.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1306081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).