3-(fluoromethyl)-5-methylsulfanylbenzamide

C9H10FNOS — CID 163802230

IUPAC3-(fluoromethyl)-5-methylsulfanylbenzamide
SMILESCSc1cc(CF)cc(C(N)=O)c1
InChIInChI=1S/C9H10FNOS/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-4H,5H2,1H3,(H2,11,12)
InChIKeyNFZJWKGHYSTBFN-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.98
Rot. Bonds3

About 3-(fluoromethyl)-5-methylsulfanylbenzamide

3-(fluoromethyl)-5-methylsulfanylbenzamide (PubChem CID 163802230) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name3-(fluoromethyl)-5-methylsulfanylbenzamide
PubChem CID163802230
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name3-(fluoromethyl)-5-methylsulfanylbenzamide
SMILESCSc1cc(CF)cc(C(N)=O)c1
InChIInChI=1S/C9H10FNOS/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-4H,5H2,1H3,(H2,11,12)
InChIKeyNFZJWKGHYSTBFN-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(fluoromethyl)-5-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-bis(methylsulfanyl)benzoic acid
CID 21445961
1-[3-(bromomethyl)-5-methylsulfanylphenyl]-2-chloropropan-1-one
CID 131531649
1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one
CID 118804158
3,4-bis(fluoromethyl)benzamide
CID 90892252
3,5-bis[(dimethylamino)methyl]benzamide
CID 101488535
fluorobenzene;4-methylsulfanylbenzamide
CID 143044718
2-(3-methylsulfanylphenyl)acetamide
CID 55254407
2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone
CID 84681474
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
2-amino-4,5-bis(fluoromethyl)benzamide
CID 90872088
ethane;(3-fluoro-5-methylsulfanylphenyl)methanol
CID 176708599
ethyl 3-methylsulfanyl-5-propanoylbenzoate
CID 134641941

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-methylsulfanylbenzamide?
The IUPAC name of 3-(fluoromethyl)-5-methylsulfanylbenzamide (CID 163802230) is 3-(fluoromethyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 3-(fluoromethyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 3-(fluoromethyl)-5-methylsulfanylbenzamide is CSc1cc(CF)cc(C(N)=O)c1.
What is the InChIKey of 3-(fluoromethyl)-5-methylsulfanylbenzamide?
The InChIKey is NFZJWKGHYSTBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-4H,5H2,1H3,(H2,11,12).
What are the key properties of 3-(fluoromethyl)-5-methylsulfanylbenzamide?
3-(fluoromethyl)-5-methylsulfanylbenzamide has a molecular weight of 199.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 163802230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).