4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide

C15H12F3NO2S — CID 51191508

IUPAC4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3NO2S/c1-22(21)13-7-5-10(6-8-13)14(20)19-12-4-2-3-11(9-12)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyGHDDJLKPQGTENN-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.70
Rot. Bonds3

About 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide

4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 51191508) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID51191508
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC Name4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3NO2S/c1-22(21)13-7-5-10(6-8-13)14(20)19-12-4-2-3-11(9-12)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyGHDDJLKPQGTENN-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 51191508) is 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide is CS(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GHDDJLKPQGTENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c1-22(21)13-7-5-10(6-8-13)14(20)19-12-4-2-3-11(9-12)15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 51191508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).