2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone

C14H10BrFO3S — CID 64642384

IUPAC2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFO3S/c15-12-3-1-2-4-14(12)20(18,19)9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyMIGQXBSBHVGDAF-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.24
Rot. Bonds4

About 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone

2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone (PubChem CID 64642384) has the molecular formula C14H10BrFO3S and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone
PubChem CID64642384
Molecular FormulaC14H10BrFO3S
Molecular Weight357.20 g/mol
Exact Mass355.95
IUPAC Name2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFO3S/c15-12-3-1-2-4-14(12)20(18,19)9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyMIGQXBSBHVGDAF-UHFFFAOYSA-N
XLogP3.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide
CID 22246250
2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
CID 1116105
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632
2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64642580
4-[(2-bromophenyl)sulfonylmethyl]benzoic acid
CID 43090958
1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one
CID 64635414
2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
CID 64637156
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone
CID 64642512
2-[2-(4-bromo-2,6-difluorophenyl)-2-oxoethyl]sulfonylbenzenesulfonamide
CID 58119582
1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone
CID 64638082

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone (CID 64642384) is 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone is O=C(CS(=O)(=O)c1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone?
The InChIKey is MIGQXBSBHVGDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3S/c15-12-3-1-2-4-14(12)20(18,19)9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone?
2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone has a molecular weight of 357.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 64642384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).