2-methylsulfanyl-4-(trifluoromethyl)benzamide

C9H8F3NOS — CID 67364487

IUPAC2-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCSc1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C9H8F3NOS/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H2,13,14)
InChIKeyQFCZXGMLGDIKGJ-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.53
Rot. Bonds2

About 2-methylsulfanyl-4-(trifluoromethyl)benzamide

2-methylsulfanyl-4-(trifluoromethyl)benzamide (PubChem CID 67364487) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-methylsulfanyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-4-(trifluoromethyl)benzamide
PubChem CID67364487
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name2-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCSc1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C9H8F3NOS/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H2,13,14)
InChIKeyQFCZXGMLGDIKGJ-UHFFFAOYSA-N
XLogP2.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methylsulfanyl-4-(trifluoromethyl)benzamide (CID 67364487) is 2-methylsulfanyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-4-(trifluoromethyl)benzamide is CSc1cc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-methylsulfanyl-4-(trifluoromethyl)benzamide?
The InChIKey is QFCZXGMLGDIKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H2,13,14).
What are the key properties of 2-methylsulfanyl-4-(trifluoromethyl)benzamide?
2-methylsulfanyl-4-(trifluoromethyl)benzamide has a molecular weight of 235.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 67364487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).