2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

C15H12BrFO3S — CID 114968196

IUPAC2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2cc(F)ccc2Br)cc1
InChIInChI=1S/C15H12BrFO3S/c1-21(19,20)13-5-2-10(3-6-13)15(18)9-11-8-12(17)4-7-14(11)16/h2-8H,9H2,1H3
InChIKeyKBFBCUPGXHKUIY-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 114968196) has the molecular formula C15H12BrFO3S and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID114968196
Molecular FormulaC15H12BrFO3S
Molecular Weight371.23 g/mol
Exact Mass369.97
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2cc(F)ccc2Br)cc1
InChIInChI=1S/C15H12BrFO3S/c1-21(19,20)13-5-2-10(3-6-13)15(18)9-11-8-12(17)4-7-14(11)16/h2-8H,9H2,1H3
InChIKeyKBFBCUPGXHKUIY-UHFFFAOYSA-N
XLogP3.42
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.42
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-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736596
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736597
2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone
CID 114968117
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 61068734
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114964032
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (CID 114968196) is 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)Cc2cc(F)ccc2Br)cc1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is KBFBCUPGXHKUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3S/c1-21(19,20)13-5-2-10(3-6-13)15(18)9-11-8-12(17)4-7-14(11)16/h2-8H,9H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 371.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 114968196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).