2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone

C15H12ClFOS — CID 107128341

IUPAC2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2ccccc2Cl)cc1F
InChIInChI=1S/C15H12ClFOS/c1-10-6-7-11(8-13(10)17)14(18)9-19-15-5-3-2-4-12(15)16/h2-8H,9H2,1H3
InChIKeyAKWTZQUTPSWUFB-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.76
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone

2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone (PubChem CID 107128341) has the molecular formula C15H12ClFOS and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
PubChem CID107128341
Molecular FormulaC15H12ClFOS
Molecular Weight294.78 g/mol
Exact Mass294.03
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2ccccc2Cl)cc1F
InChIInChI=1S/C15H12ClFOS/c1-10-6-7-11(8-13(10)17)14(18)9-19-15-5-3-2-4-12(15)16/h2-8H,9H2,1H3
InChIKeyAKWTZQUTPSWUFB-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 66142157
2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
CID 66139748
1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413761
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 43413759
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
CID 54255060

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone (CID 107128341) is 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)CSc2ccccc2Cl)cc1F.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone?
The InChIKey is AKWTZQUTPSWUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFOS/c1-10-6-7-11(8-13(10)17)14(18)9-19-15-5-3-2-4-12(15)16/h2-8H,9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone?
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone has a molecular weight of 294.78 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 107128341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).