2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride

C10H11ClF3NO2S — CID 159463139

IUPAC2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCOc1cc(C(F)(F)F)cc(SC)c1C(N)=O.Cl
InChIInChI=1S/C10H10F3NO2S.ClH/c1-16-6-3-5(10(11,12)13)4-7(17-2)8(6)9(14)15;/h3-4H,1-2H3,(H2,14,15);1H
InChIKeyLUVMMORHQYZSBD-UHFFFAOYSA-N
MW301.72 g/mol
LogP2.96
Rot. Bonds3

About 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride

2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 159463139) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID159463139
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCOc1cc(C(F)(F)F)cc(SC)c1C(N)=O.Cl
InChIInChI=1S/C10H10F3NO2S.ClH/c1-16-6-3-5(10(11,12)13)4-7(17-2)8(6)9(14)15;/h3-4H,1-2H3,(H2,14,15);1H
InChIKeyLUVMMORHQYZSBD-UHFFFAOYSA-N
XLogP2.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride (CID 159463139) is 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride is COc1cc(C(F)(F)F)cc(SC)c1C(N)=O.Cl.
What is the InChIKey of 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is LUVMMORHQYZSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S.ClH/c1-16-6-3-5(10(11,12)13)4-7(17-2)8(6)9(14)15;/h3-4H,1-2H3,(H2,14,15);1H.
What are the key properties of 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride?
2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 301.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 159463139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).