2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone

C15H13BrO3S — CID 64641307

IUPAC2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CS(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrO3S/c1-19-13-4-2-3-11(9-13)15(17)10-20(18)14-7-5-12(16)6-8-14/h2-9H,10H2,1H3
InChIKeyYNFRHULJNWRUDV-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone

2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone (PubChem CID 64641307) has the molecular formula C15H13BrO3S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
PubChem CID64641307
Molecular FormulaC15H13BrO3S
Molecular Weight353.24 g/mol
Exact Mass351.98
IUPAC Name2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CS(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrO3S/c1-19-13-4-2-3-11(9-13)15(17)10-20(18)14-7-5-12(16)6-8-14/h2-9H,10H2,1H3
InChIKeyYNFRHULJNWRUDV-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64635946
2-(3-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64635118
2-butylsulfinyl-1-(3-methoxyphenyl)ethanone
CID 64640337
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone
CID 64641102
1-(3-methoxyphenyl)-2-(3-methoxypropylsulfinyl)ethanone
CID 64637403
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40525367
1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene
CID 15366242
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64651801
1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
CID 64635886

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone (CID 64641307) is 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CS(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone?
The InChIKey is YNFRHULJNWRUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3S/c1-19-13-4-2-3-11(9-13)15(17)10-20(18)14-7-5-12(16)6-8-14/h2-9H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone?
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone has a molecular weight of 353.24 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 64641307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).