2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide

C11H12F3NO2S — CID 177255254

IUPAC2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide
SMILESCCC[S@@](=O)c1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H12F3NO2S/c1-2-5-18(17)9-6-7(11(12,13)14)3-4-8(9)10(15)16/h3-4,6H,2,5H2,1H3,(H2,15,16)/t18-/m1/s1
InChIKeyGORXUDXQVMOEJX-GOSISDBHSA-N
MW279.28 g/mol
LogP2.32
Rot. Bonds4

About 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide

2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide (PubChem CID 177255254) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide
PubChem CID177255254
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide
SMILESCCC[S@@](=O)c1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H12F3NO2S/c1-2-5-18(17)9-6-7(11(12,13)14)3-4-8(9)10(15)16/h3-4,6H,2,5H2,1H3,(H2,15,16)/t18-/m1/s1
InChIKeyGORXUDXQVMOEJX-GOSISDBHSA-N
XLogP2.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
2-hexylsulfinyl-5-(trifluoromethyl)aniline
CID 81175172
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
5-(trifluoromethyl)-2-(3,3,3-trifluoropropylsulfinyl)aniline
CID 81176043
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide
CID 62664652
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-(2-ethylsulfonylethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81175916
ethyl 2-bromo-5-(trifluoromethyl)benzoate
CID 46311281
2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide
CID 90785305
2-(2-ethoxyethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81174929

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide (CID 177255254) is 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide is CCC[S@@](=O)c1cc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GORXUDXQVMOEJX-GOSISDBHSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c1-2-5-18(17)9-6-7(11(12,13)14)3-4-8(9)10(15)16/h3-4,6H,2,5H2,1H3,(H2,15,16)/t18-/m1/s1.
What are the key properties of 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide?
2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 279.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 177255254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).