2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone

C15H13FO2S — CID 64636301

IUPAC2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13FO2S/c1-11-4-2-3-5-14(11)15(17)10-19(18)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3
InChIKeyOWTBVITYLDPLBY-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone

2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone (PubChem CID 64636301) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
PubChem CID64636301
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13FO2S/c1-11-4-2-3-5-14(11)15(17)10-19(18)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3
InChIKeyOWTBVITYLDPLBY-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
1-(2-methylphenyl)-2-(4-nitrophenyl)sulfinylethanone
CID 64638918
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 64636487
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
CID 78998480
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one
CID 62629701
3-(2-methylphenyl)-3-oxopropanal
CID 15648082
1-[2-[2-(4-fluorophenyl)sulfinylethoxy]phenyl]ethanone
CID 64636485
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
CID 64638298

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone (CID 64636301) is 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CS(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone?
The InChIKey is OWTBVITYLDPLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-11-4-2-3-5-14(11)15(17)10-19(18)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone?
2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone has a molecular weight of 276.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 64636301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).