2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone

C15H12BrClO2S — CID 43222143

IUPAC2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H12BrClO2S/c1-19-15-7-2-10(8-13(15)17)14(18)9-20-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyAMFMVFBCTOYLFI-UHFFFAOYSA-N
MW371.68 g/mol
LogP5.09
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone

2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone (PubChem CID 43222143) has the molecular formula C15H12BrClO2S and a molecular weight of 371.68 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone
PubChem CID43222143
Molecular FormulaC15H12BrClO2S
Molecular Weight371.68 g/mol
Exact Mass369.94
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H12BrClO2S/c1-19-15-7-2-10(8-13(15)17)14(18)9-20-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyAMFMVFBCTOYLFI-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.68
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
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1-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880273
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
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2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
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1-(3-chloro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
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2-methoxy-5-(2-phenylsulfanylacetyl)benzoic acid
CID 82052354
1-(3-chloro-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
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2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-chloro-4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 116830849
1-(3-chloro-4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 62267156
1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone (CID 43222143) is 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone?
The InChIKey is AMFMVFBCTOYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2S/c1-19-15-7-2-10(8-13(15)17)14(18)9-20-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone?
2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone has a molecular weight of 371.68 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 43222143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).