2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone

C16H15BrO3S — CID 64643722

IUPAC2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrO3S/c1-2-12-3-5-13(6-4-12)16(18)11-21(19,20)15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3
InChIKeyXEKRQJXDQWAMAP-UHFFFAOYSA-N
MW367.26 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone

2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone (PubChem CID 64643722) has the molecular formula C16H15BrO3S and a molecular weight of 367.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
PubChem CID64643722
Molecular FormulaC16H15BrO3S
Molecular Weight367.26 g/mol
Exact Mass365.99
IUPAC Name2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrO3S/c1-2-12-3-5-13(6-4-12)16(18)11-21(19,20)15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3
InChIKeyXEKRQJXDQWAMAP-UHFFFAOYSA-N
XLogP3.67
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
CID 7342256
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
1-(4-ethylphenyl)-2-propylsulfonylethanone
CID 64641647
2-(4-bromophenyl)sulfonylacetate
CID 7744989
1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
CID 110823643
1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641583
1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 167548064
1-bromo-4-ethylbenzene
CID 15313
1-(4-bromophenyl)-2-butylsulfonylethanone
CID 64636338

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone (CID 64643722) is 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone?
The InChIKey is XEKRQJXDQWAMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3S/c1-2-12-3-5-13(6-4-12)16(18)11-21(19,20)15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone?
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone has a molecular weight of 367.26 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 64643722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).