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

C16H15FO3S — CID 5225625

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)CCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3S/c1-12-2-8-15(9-3-12)21(19,20)11-10-16(18)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3
InChIKeySQNZHMVKRGDDNK-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.18
Rot. Bonds5

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

1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one (PubChem CID 5225625) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one
PubChem CID5225625
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)CCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3S/c1-12-2-8-15(9-3-12)21(19,20)11-10-16(18)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3
InChIKeySQNZHMVKRGDDNK-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

2-methyl-1-[4-[3-(4-methylphenyl)sulfonylpropanoyl]phenyl]propan-1-one
CID 176584326
1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one
CID 64635414
6-(4-methylphenyl)sulfonyl-1-phenylhexan-1-one
CID 5006205
3-tert-butylsulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64644091
4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
CID 106512341
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
1-chloro-4-(4-methylphenyl)sulfonylbutan-2-one
CID 134085990
3-[4-(4-methylphenyl)phenyl]sulfonylpropanoyl chloride
CID 58392608
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one (CID 5225625) is 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one is Cc1ccc(S(=O)(=O)CCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The InChIKey is SQNZHMVKRGDDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-12-2-8-15(9-3-12)21(19,20)11-10-16(18)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one?
1-(4-fluorophenyl)-3-(4-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-(4-methylphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 5225625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).