4-fluoro-2-methylsulfanylbenzamide

C8H8FNOS — CID 16753850

IUPAC4-fluoro-2-methylsulfanylbenzamide
SMILESCSc1cc(F)ccc1C(N)=O
InChIInChI=1S/C8H8FNOS/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyPUOZGKJABUIWDW-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.65
Rot. Bonds2

About 4-fluoro-2-methylsulfanylbenzamide

4-fluoro-2-methylsulfanylbenzamide (PubChem CID 16753850) has the molecular formula C8H8FNOS and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-fluoro-2-methylsulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-methylsulfanylbenzamide
PubChem CID16753850
Molecular FormulaC8H8FNOS
Molecular Weight185.22 g/mol
Exact Mass185.03
IUPAC Name4-fluoro-2-methylsulfanylbenzamide
SMILESCSc1cc(F)ccc1C(N)=O
InChIInChI=1S/C8H8FNOS/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyPUOZGKJABUIWDW-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylsulfanylbenzamide?
The IUPAC name of 4-fluoro-2-methylsulfanylbenzamide (CID 16753850) is 4-fluoro-2-methylsulfanylbenzamide.
What is the SMILES notation for 4-fluoro-2-methylsulfanylbenzamide?
The canonical SMILES for 4-fluoro-2-methylsulfanylbenzamide is CSc1cc(F)ccc1C(N)=O.
What is the InChIKey of 4-fluoro-2-methylsulfanylbenzamide?
The InChIKey is PUOZGKJABUIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNOS/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H2,10,11).
What are the key properties of 4-fluoro-2-methylsulfanylbenzamide?
4-fluoro-2-methylsulfanylbenzamide has a molecular weight of 185.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylsulfanylbenzamide is sourced from PubChem (CID 16753850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).