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

C15H12BrFO3S — CID 64640312

IUPAC2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CS(=O)c2ccccc2Br)cc1F
InChIInChI=1S/C15H12BrFO3S/c1-20-14-7-6-10(8-12(14)17)13(18)9-21(19)15-5-3-2-4-11(15)16/h2-8H,9H2,1H3
InChIKeyZGVFJRUCKYWEAV-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.59
Rot. Bonds5

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

2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 64640312) has the molecular formula C15H12BrFO3S and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID64640312
Molecular FormulaC15H12BrFO3S
Molecular Weight371.23 g/mol
Exact Mass369.97
IUPAC Name2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CS(=O)c2ccccc2Br)cc1F
InChIInChI=1S/C15H12BrFO3S/c1-20-14-7-6-10(8-12(14)17)13(18)9-21(19)15-5-3-2-4-11(15)16/h2-8H,9H2,1H3
InChIKeyZGVFJRUCKYWEAV-UHFFFAOYSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone
CID 64641137
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 64640312) is 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CS(=O)c2ccccc2Br)cc1F.
What is the InChIKey of 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is ZGVFJRUCKYWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3S/c1-20-14-7-6-10(8-12(14)17)13(18)9-21(19)15-5-3-2-4-11(15)16/h2-8H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 371.23 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 64640312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).