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

C17H17FO3S — CID 159440456

IUPAC1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
SMILESCc1ccc(S(=O)(=O)CC(=O)Cc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H17FO3S/c1-12-3-6-16(7-4-12)22(20,21)11-15(19)10-14-5-8-17(18)13(2)9-14/h3-9H,10-11H2,1-2H3
InChIKeyVOJAHYHFKSORKP-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.03
Rot. Bonds5

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

1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one (PubChem CID 159440456) has the molecular formula C17H17FO3S and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
PubChem CID159440456
Molecular FormulaC17H17FO3S
Molecular Weight320.39 g/mol
Exact Mass320.09
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
SMILESCc1ccc(S(=O)(=O)CC(=O)Cc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H17FO3S/c1-12-3-6-16(7-4-12)22(20,21)11-15(19)10-14-5-8-17(18)13(2)9-14/h3-9H,10-11H2,1-2H3
InChIKeyVOJAHYHFKSORKP-UHFFFAOYSA-N
XLogP3.03
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 167548064
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 91020415
(4-fluoro-3-methylphenyl)sulfonylmethanol
CID 117036683
1-(4-fluoro-3-methylphenyl)but-3-en-2-one
CID 141051945
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
1-(4-methylphenyl)sulfonylhex-5-en-2-one
CID 71446085
1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 82919520
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948
2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345550
ethyl 4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate
CID 4179232

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one (CID 159440456) is 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one is Cc1ccc(S(=O)(=O)CC(=O)Cc2ccc(F)c(C)c2)cc1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one?
The InChIKey is VOJAHYHFKSORKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3S/c1-12-3-6-16(7-4-12)22(20,21)11-15(19)10-14-5-8-17(18)13(2)9-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one?
1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one is sourced from PubChem (CID 159440456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).