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

C15H12F2O3S — CID 64642533

IUPAC1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one
SMILESO=C(Cc1ccccc1F)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H12F2O3S/c16-13-6-2-1-5-11(13)9-12(18)10-21(19,20)15-8-4-3-7-14(15)17/h1-8H,9-10H2
InChIKeyOSPZPVAMPZSOPV-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.55
Rot. Bonds5

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

1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one (PubChem CID 64642533) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one
PubChem CID64642533
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one
SMILESO=C(Cc1ccccc1F)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H12F2O3S/c16-13-6-2-1-5-11(13)9-12(18)10-21(19,20)15-8-4-3-7-14(15)17/h1-8H,9-10H2
InChIKeyOSPZPVAMPZSOPV-UHFFFAOYSA-N
XLogP2.55
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one
CID 64643723
N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide
CID 17420018
2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
CID 64642534
1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone
CID 166512201
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
N-butyl-2-(2-fluorophenyl)sulfonylacetamide
CID 47148223
6-(2-fluorophenyl)sulfonylhexan-3-one
CID 106807678
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate
CID 75466349
1-tert-butylsulfinyl-3-(2-fluorophenyl)propan-2-one
CID 64638868
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one (CID 64642533) is 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one is O=C(Cc1ccccc1F)CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one?
The InChIKey is OSPZPVAMPZSOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c16-13-6-2-1-5-11(13)9-12(18)10-21(19,20)15-8-4-3-7-14(15)17/h1-8H,9-10H2.
What are the key properties of 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one?
1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one has a molecular weight of 310.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one is sourced from PubChem (CID 64642533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).