4-(trifluoromethylsulfanyl)benzamide

C8H6F3NOS — CID 2422516

IUPAC4-(trifluoromethylsulfanyl)benzamide
SMILESNC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChIKeyILYWYSLTZOUSID-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.40
Rot. Bonds2

About 4-(trifluoromethylsulfanyl)benzamide

4-(trifluoromethylsulfanyl)benzamide (PubChem CID 2422516) has the molecular formula C8H6F3NOS and a molecular weight of 221.20 g/mol. Its IUPAC name is 4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound Name4-(trifluoromethylsulfanyl)benzamide
PubChem CID2422516
Molecular FormulaC8H6F3NOS
Molecular Weight221.20 g/mol
Exact Mass221.01
IUPAC Name4-(trifluoromethylsulfanyl)benzamide
SMILESNC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChIKeyILYWYSLTZOUSID-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethyl)benzamide
CID 74684
N-Methyl-4-(methylthio)benzamide
CID 4518228
Farnesyl Thiosalicylic Acid Amide
CID 25187973
Benzamide, p-(isopropylsulfonyl)-
CID 210035
2-Sulfanylbenzamide
CID 350657
4-Mercapto-benzamide
CID 22351612
4-Methanesulfonylbenzamide
CID 15640625
4-Methylsulfanylbenzohydrazide
CID 265435
2,2'-Thiobis(benzamide)
CID 99686
2-(Phenylthio)benzamide
CID 2728632
3-Methylsulfanylbenzamide
CID 44581297
4-(4-Carbamoylphenyl)sulfanylbenzamide
CID 144930841

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of 4-(trifluoromethylsulfanyl)benzamide (CID 2422516) is 4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for 4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for 4-(trifluoromethylsulfanyl)benzamide is NC(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is ILYWYSLTZOUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13).
What are the key properties of 4-(trifluoromethylsulfanyl)benzamide?
4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 221.20 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 2422516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).