2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene

C14H13BrO4S — CID 1076681

IUPAC2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrO4S/c1-18-11-5-8-13(19-2)14(9-11)20(16,17)12-6-3-10(15)4-7-12/h3-9H,1-2H3
InChIKeyOPRAMUQGCVNNDK-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene

2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene (PubChem CID 1076681) has the molecular formula C14H13BrO4S and a molecular weight of 357.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene
PubChem CID1076681
Molecular FormulaC14H13BrO4S
Molecular Weight357.23 g/mol
Exact Mass355.97
IUPAC Name2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrO4S/c1-18-11-5-8-13(19-2)14(9-11)20(16,17)12-6-3-10(15)4-7-12/h3-9H,1-2H3
InChIKeyOPRAMUQGCVNNDK-UHFFFAOYSA-N
XLogP3.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
3-Bromophenoxathiine 10,10-dioxide
CID 10804948
2-Methoxy-phenoxathiine 10,10-dioxide
CID 10587547
4-Bromo-1-methoxy-2-(2-methylsulfonylethylsulfanyl)benzene
CID 72000821
4-Bromo-1-methoxy-2-(3-methylsulfonylpropylsulfanyl)benzene
CID 72000831
1-Bromo-4-(4-methoxyphenyl)sulfanylbenzene
CID 14271328
2-[(4-Methoxyphenyl)sulfonyl]benzene-1,4-diol
CID 674262
4-Bromo-2,5-dimethoxybenzene-1-sulfonyl chloride
CID 50876050
2,2'-Dimethoxydiphenylsulfon
CID 12411077
1,4-Dimethoxy-2-(phenylsulfanyl)benzene
CID 13167171
4-Bromo-2-ethenylsulfonyl-1-methoxybenzene
CID 23466786
1-Bromo-4-(4-methoxyphenylsulfonyl)benzene
CID 67239911

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene (CID 1076681) is 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene is COc1ccc(OC)c(S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene?
The InChIKey is OPRAMUQGCVNNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO4S/c1-18-11-5-8-13(19-2)14(9-11)20(16,17)12-6-3-10(15)4-7-12/h3-9H,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene?
2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene has a molecular weight of 357.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-1,4-dimethoxybenzene is sourced from PubChem (CID 1076681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).