1-bromo-3-(2-phenylethylsulfonyl)benzene

C14H13BrO2S — CID 67134245

IUPAC1-bromo-3-(2-phenylethylsulfonyl)benzene
SMILESO=S(=O)(CCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrO2S/c15-13-7-4-8-14(11-13)18(16,17)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyCPGVGQPQIDUVTG-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.47
Rot. Bonds4

About 1-bromo-3-(2-phenylethylsulfonyl)benzene

1-bromo-3-(2-phenylethylsulfonyl)benzene (PubChem CID 67134245) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is 1-bromo-3-(2-phenylethylsulfonyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-phenylethylsulfonyl)benzene
PubChem CID67134245
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name1-bromo-3-(2-phenylethylsulfonyl)benzene
SMILESO=S(=O)(CCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrO2S/c15-13-7-4-8-14(11-13)18(16,17)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyCPGVGQPQIDUVTG-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-phenylethylsulfonyl)benzene?
The IUPAC name of 1-bromo-3-(2-phenylethylsulfonyl)benzene (CID 67134245) is 1-bromo-3-(2-phenylethylsulfonyl)benzene.
What is the SMILES notation for 1-bromo-3-(2-phenylethylsulfonyl)benzene?
The canonical SMILES for 1-bromo-3-(2-phenylethylsulfonyl)benzene is O=S(=O)(CCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-phenylethylsulfonyl)benzene?
The InChIKey is CPGVGQPQIDUVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c15-13-7-4-8-14(11-13)18(16,17)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2.
What are the key properties of 1-bromo-3-(2-phenylethylsulfonyl)benzene?
1-bromo-3-(2-phenylethylsulfonyl)benzene has a molecular weight of 325.23 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-phenylethylsulfonyl)benzene is sourced from PubChem (CID 67134245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).