1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone

C15H13BrO4S — CID 64641583

IUPAC1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
SMILESCOc1cccc(S(=O)(=O)CC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrO4S/c1-20-13-3-2-4-14(9-13)21(18,19)10-15(17)11-5-7-12(16)8-6-11/h2-9H,10H2,1H3
InChIKeyLVZAIPFJKHRIRW-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.11
Rot. Bonds5

About 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone

1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone (PubChem CID 64641583) has the molecular formula C15H13BrO4S and a molecular weight of 369.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
PubChem CID64641583
Molecular FormulaC15H13BrO4S
Molecular Weight369.24 g/mol
Exact Mass367.97
IUPAC Name1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
SMILESCOc1cccc(S(=O)(=O)CC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrO4S/c1-20-13-3-2-4-14(9-13)21(18,19)10-15(17)11-5-7-12(16)8-6-11/h2-9H,10H2,1H3
InChIKeyLVZAIPFJKHRIRW-UHFFFAOYSA-N
XLogP3.11
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
CID 7342256
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641956
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
CID 64696966
2-(benzenesulfonyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 62916683
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone (CID 64641583) is 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone is COc1cccc(S(=O)(=O)CC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone?
The InChIKey is LVZAIPFJKHRIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4S/c1-20-13-3-2-4-14(9-13)21(18,19)10-15(17)11-5-7-12(16)8-6-11/h2-9H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone?
1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone has a molecular weight of 369.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone is sourced from PubChem (CID 64641583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).