1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene

C15H15BrO2S — CID 135065541

IUPAC1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrO2S/c1-11-3-9-15(10-4-11)19(17,18)12(2)13-5-7-14(16)8-6-13/h3-10,12H,1-2H3
InChIKeySCLFHKGROWPQPH-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.29
Rot. Bonds3

About 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene

1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene (PubChem CID 135065541) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene
PubChem CID135065541
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrO2S/c1-11-3-9-15(10-4-11)19(17,18)12(2)13-5-7-14(16)8-6-13/h3-10,12H,1-2H3
InChIKeySCLFHKGROWPQPH-UHFFFAOYSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene 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-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene?
The IUPAC name of 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene (CID 135065541) is 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene?
The canonical SMILES for 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene is Cc1ccc(S(=O)(=O)C(C)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene?
The InChIKey is SCLFHKGROWPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-11-3-9-15(10-4-11)19(17,18)12(2)13-5-7-14(16)8-6-13/h3-10,12H,1-2H3.
What are the key properties of 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene?
1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene has a molecular weight of 339.25 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethylsulfonyl]-4-methylbenzene is sourced from PubChem (CID 135065541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).