1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene

C14H12BrFO2S — CID 154713333

IUPAC1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene
SMILESO=S(=O)(CC(F)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrFO2S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyQODGFLBUMIHCLA-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.93
Rot. Bonds4

About 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene

1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene (PubChem CID 154713333) has the molecular formula C14H12BrFO2S and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene.

Molecular Properties

Compound Name1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene
PubChem CID154713333
Molecular FormulaC14H12BrFO2S
Molecular Weight343.22 g/mol
Exact Mass341.97
IUPAC Name1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene
SMILESO=S(=O)(CC(F)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrFO2S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyQODGFLBUMIHCLA-UHFFFAOYSA-N
XLogP3.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene?
The IUPAC name of 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene (CID 154713333) is 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene.
What is the SMILES notation for 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene?
The canonical SMILES for 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene is O=S(=O)(CC(F)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene?
The InChIKey is QODGFLBUMIHCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene?
1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene has a molecular weight of 343.22 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene is sourced from PubChem (CID 154713333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).