1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene

C15H15BrO2S — CID 10903898

IUPAC1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene
SMILESCc1ccc(S(=O)(=O)C(C)c2ccccc2Br)cc1
InChIInChI=1S/C15H15BrO2S/c1-11-7-9-13(10-8-11)19(17,18)12(2)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3
InChIKeyOHZSHVBAKVVRJP-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.29
Rot. Bonds3

About 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene

1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene (PubChem CID 10903898) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene
PubChem CID10903898
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene
SMILESCc1ccc(S(=O)(=O)C(C)c2ccccc2Br)cc1
InChIInChI=1S/C15H15BrO2S/c1-11-7-9-13(10-8-11)19(17,18)12(2)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3
InChIKeyOHZSHVBAKVVRJP-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

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Related Compounds

1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfonylbenzene
CID 25260253
N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
CID 171590028
1-bromo-2-(4-methylphenyl)sulfonylsulfanylbenzene
CID 122202525
N-[(1R)-1-(2-bromophenyl)but-3-ynyl]-4-methylbenzenesulfonamide
CID 154710736
1-(1,2-dibromoethylsulfonyl)-4-methylbenzene
CID 13203012
N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24544760
2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol
CID 177473349
2-[1-(benzenesulfonyl)ethyl]benzoic acid
CID 5232707
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene
CID 54519335
1-chloro-2-[(R)-isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 97291138
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene?
The IUPAC name of 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene (CID 10903898) is 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene.
What is the SMILES notation for 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene?
The canonical SMILES for 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene is Cc1ccc(S(=O)(=O)C(C)c2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene?
The InChIKey is OHZSHVBAKVVRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-11-7-9-13(10-8-11)19(17,18)12(2)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3.
What are the key properties of 1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene?
1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene 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-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene is sourced from PubChem (CID 10903898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).