1-(4-bromophenyl)sulfonyl-4-fluorobenzene

C12H8BrFO2S — CID 14711968

IUPAC1-(4-bromophenyl)sulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrFO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKeyFJUPQROIJRHZJT-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.42
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-4-fluorobenzene

1-(4-bromophenyl)sulfonyl-4-fluorobenzene (PubChem CID 14711968) has the molecular formula C12H8BrFO2S and a molecular weight of 315.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-fluorobenzene
PubChem CID14711968
Molecular FormulaC12H8BrFO2S
Molecular Weight315.16 g/mol
Exact Mass313.94
IUPAC Name1-(4-bromophenyl)sulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrFO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKeyFJUPQROIJRHZJT-UHFFFAOYSA-N
XLogP3.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)sulfonyl-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-fluorobenzene?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-fluorobenzene (CID 14711968) is 1-(4-bromophenyl)sulfonyl-4-fluorobenzene.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-fluorobenzene?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-fluorobenzene is O=S(=O)(c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-fluorobenzene?
The InChIKey is FJUPQROIJRHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-fluorobenzene?
1-(4-bromophenyl)sulfonyl-4-fluorobenzene has a molecular weight of 315.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-fluorobenzene is sourced from PubChem (CID 14711968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).