2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone

C15H12F2O3S — CID 114964032

IUPAC2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1cccc(C(=O)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C15H12F2O3S/c1-21(19,20)13-4-2-3-10(8-13)15(18)9-11-7-12(16)5-6-14(11)17/h2-8H,9H2,1H3
InChIKeyBWRBDOOZNLWMOO-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.79
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone

2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone (PubChem CID 114964032) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
PubChem CID114964032
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1cccc(C(=O)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C15H12F2O3S/c1-21(19,20)13-4-2-3-10(8-13)15(18)9-11-7-12(16)5-6-14(11)17/h2-8H,9H2,1H3
InChIKeyBWRBDOOZNLWMOO-UHFFFAOYSA-N
XLogP2.79
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962970
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
1-(3-methylsulfonylphenyl)-2-pyridin-4-ylethanone
CID 114981634
1-(3-methylsulfonylphenyl)butan-1-one
CID 83957439
2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 114968196
1-(2,5-difluorophenyl)ethyl 3-methylsulfonylbenzoate
CID 47065480
N-bromo-3-methylsulfonylbenzamide
CID 174925666
(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 79735532
(3-methylsulfonylbenzoyl)azanium
CID 163693398
2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
CID 105082380

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone (CID 114964032) is 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1cccc(C(=O)Cc2cc(F)ccc2F)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
The InChIKey is BWRBDOOZNLWMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c1-21(19,20)13-4-2-3-10(8-13)15(18)9-11-7-12(16)5-6-14(11)17/h2-8H,9H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone?
2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone has a molecular weight of 310.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 114964032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).