1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone

C16H15FO4S — CID 165436373

IUPAC1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(F)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C16H15FO4S/c1-21-15-8-3-11(10-16(15)22(2,19)20)9-14(18)12-4-6-13(17)7-5-12/h3-8,10H,9H2,1-2H3
InChIKeyWIFFCPYPQRXUFV-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone

1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone (PubChem CID 165436373) has the molecular formula C16H15FO4S and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone
PubChem CID165436373
Molecular FormulaC16H15FO4S
Molecular Weight322.36 g/mol
Exact Mass322.07
IUPAC Name1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(F)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C16H15FO4S/c1-21-15-8-3-11(10-16(15)22(2,19)20)9-14(18)12-4-6-13(17)7-5-12/h3-8,10H,9H2,1-2H3
InChIKeyWIFFCPYPQRXUFV-UHFFFAOYSA-N
XLogP2.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone
CID 66871472
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
4-methoxy-3-methylsulfonylbenzoyl iodide
CID 137414165
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736597
1-(4-ethylsulfanylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 106847918
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
CID 1242504
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379558
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 103213975
2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone (CID 165436373) is 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone is COc1ccc(CC(=O)c2ccc(F)cc2)cc1S(C)(=O)=O.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone?
The InChIKey is WIFFCPYPQRXUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4S/c1-21-15-8-3-11(10-16(15)22(2,19)20)9-14(18)12-4-6-13(17)7-5-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone?
1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone has a molecular weight of 322.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 165436373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).