fluorobenzene;4-methylsulfanylbenzamide

C14H14FNOS — CID 143044718

IUPACfluorobenzene;4-methylsulfanylbenzamide
SMILESCSc1ccc(C(N)=O)cc1.Fc1ccccc1
InChIInChI=1S/C8H9NOS.C6H5F/c1-11-7-4-2-6(3-5-7)8(9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,10);1-5H
InChIKeyGPUMJTCUYDZVMQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.33
Rot. Bonds2

About fluorobenzene;4-methylsulfanylbenzamide

fluorobenzene;4-methylsulfanylbenzamide (PubChem CID 143044718) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is fluorobenzene;4-methylsulfanylbenzamide.

Molecular Properties

Compound Namefluorobenzene;4-methylsulfanylbenzamide
PubChem CID143044718
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Namefluorobenzene;4-methylsulfanylbenzamide
SMILESCSc1ccc(C(N)=O)cc1.Fc1ccccc1
InChIInChI=1S/C8H9NOS.C6H5F/c1-11-7-4-2-6(3-5-7)8(9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,10);1-5H
InChIKeyGPUMJTCUYDZVMQ-UHFFFAOYSA-N
XLogP3.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

chloromethane;4-fluorobenzamide
CID 158476805
benzamide;trifluoro(methylsulfanyl)methane
CID 167473170
benzoyl 4-methylsulfanylbenzoate
CID 88817046
(E)-but-2-enedioic acid;4-fluorobenzamide
CID 69010186
4-aminosulfanylbenzamide
CID 22301586
CID 67738089
CID 67738089
benzamide;hydron
CID 68819060
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
benzamide;trifluoroborane
CID 158302663
benzamide;dimethyltin
CID 174591280
4-(2-phenylethynyl)benzamide
CID 23130608
(Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine
CID 163786268

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;4-methylsulfanylbenzamide?
The IUPAC name of fluorobenzene;4-methylsulfanylbenzamide (CID 143044718) is fluorobenzene;4-methylsulfanylbenzamide.
What is the SMILES notation for fluorobenzene;4-methylsulfanylbenzamide?
The canonical SMILES for fluorobenzene;4-methylsulfanylbenzamide is CSc1ccc(C(N)=O)cc1.Fc1ccccc1.
What is the InChIKey of fluorobenzene;4-methylsulfanylbenzamide?
The InChIKey is GPUMJTCUYDZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS.C6H5F/c1-11-7-4-2-6(3-5-7)8(9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,10);1-5H.
What are the key properties of fluorobenzene;4-methylsulfanylbenzamide?
fluorobenzene;4-methylsulfanylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;4-methylsulfanylbenzamide is sourced from PubChem (CID 143044718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).