2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone

C14H9BrCl2O2S — CID 64641102

IUPAC2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CS(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9BrCl2O2S/c15-10-2-4-11(5-3-10)20(19)8-14(18)9-1-6-12(16)13(17)7-9/h1-7H,8H2
InChIKeyOECYEFSUXNQAAO-UHFFFAOYSA-N
MW392.10 g/mol
LogP4.75
Rot. Bonds4

About 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone

2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone (PubChem CID 64641102) has the molecular formula C14H9BrCl2O2S and a molecular weight of 392.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone
PubChem CID64641102
Molecular FormulaC14H9BrCl2O2S
Molecular Weight392.10 g/mol
Exact Mass389.89
IUPAC Name2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CS(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9BrCl2O2S/c15-10-2-4-11(5-3-10)20(19)8-14(18)9-1-6-12(16)13(17)7-9/h1-7H,8H2
InChIKeyOECYEFSUXNQAAO-UHFFFAOYSA-N
XLogP4.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.10
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)sulfinylethanone
CID 64639499
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64641307
2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64640094
2-(4-bromophenyl)sulfinylacetamide
CID 130650723
2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
CID 64636245
1-(3,4-dichlorophenyl)-2-sulfanylethanone
CID 58957134
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283
[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride
CID 10968004
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
CID 64635884
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone (CID 64641102) is 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone is O=C(CS(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is OECYEFSUXNQAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O2S/c15-10-2-4-11(5-3-10)20(19)8-14(18)9-1-6-12(16)13(17)7-9/h1-7H,8H2.
What are the key properties of 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone?
2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 392.10 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 64641102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).