1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one

C16H15FO3S — CID 64635414

IUPAC1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccccc1S(=O)(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3S/c1-12-4-2-3-5-16(12)21(19,20)11-10-15(18)13-6-8-14(17)9-7-13/h2-9H,10-11H2,1H3
InChIKeyNCYOJBYPMYJUMX-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one

1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one (PubChem CID 64635414) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one
PubChem CID64635414
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccccc1S(=O)(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3S/c1-12-4-2-3-5-16(12)21(19,20)11-10-15(18)13-6-8-14(17)9-7-13/h2-9H,10-11H2,1H3
InChIKeyNCYOJBYPMYJUMX-UHFFFAOYSA-N
XLogP3.18
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butylsulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64644091
1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 5225625
3-(2,5-dimethylphenyl)sulfonyl-1-phenylpropan-1-one
CID 116694859
2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632
6-(2-methylphenyl)sulfonylhexan-2-one
CID 64638073
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone
CID 64642384
ethyl 2-[3-(4-fluorophenyl)-3-oxopropyl]sulfonylacetate
CID 64635409
2-(2-methylphenyl)sulfonylethyl hydrogen sulfite
CID 143598244
1-(6-bromohexylsulfonyl)-2-methylbenzene
CID 67518368
2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide
CID 22246250
2-(2-methylphenyl)sulfonylacetamide
CID 47361891

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one (CID 64635414) is 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one is Cc1ccccc1S(=O)(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one?
The InChIKey is NCYOJBYPMYJUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-12-4-2-3-5-16(12)21(19,20)11-10-15(18)13-6-8-14(17)9-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one?
1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one has a molecular weight of 306.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 64635414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).