1-(4-bromophenyl)sulfonyl-4-methoxybenzene

C13H11BrO3S — CID 67239911

IUPAC1-(4-bromophenyl)sulfonyl-4-methoxybenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrO3S/c1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12/h2-9H,1H3
InChIKeyKCMFYSOHSUHVIE-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.29
Rot. Bonds3

About 1-(4-bromophenyl)sulfonyl-4-methoxybenzene

1-(4-bromophenyl)sulfonyl-4-methoxybenzene (PubChem CID 67239911) has the molecular formula C13H11BrO3S and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-methoxybenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-methoxybenzene
PubChem CID67239911
Molecular FormulaC13H11BrO3S
Molecular Weight327.20 g/mol
Exact Mass325.96
IUPAC Name1-(4-bromophenyl)sulfonyl-4-methoxybenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrO3S/c1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12/h2-9H,1H3
InChIKeyKCMFYSOHSUHVIE-UHFFFAOYSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
Benzene, 1-bromo-4-(4-(methylsulfonyl)phenoxy)-
CID 514877
3-Bromophenoxathiine 10,10-dioxide
CID 10804948
Bis(4-methoxyphenyl) sulfone
CID 238615
Bis(4-methoxyphenyl) sulfoxide
CID 238614
4-((4-Methoxyphenyl)sulfonyl)phenol
CID 1380529
N'-(4-bromophenyl)sulfonyl-4-methoxy-N-methylbenzenesulfonohydrazide
CID 13865987
N'-(4-bromophenyl)sulfonyl-4-methoxy-N'-methylbenzenesulfonohydrazide
CID 13866004
Bis(4-methoxyphenyl) sulfide
CID 618860
1-(4-Fluorophenyl)sulfinyl-4-methoxybenzene
CID 21200904
1-Methoxy-3-(phenylsulfonyl)benzene
CID 640917

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methoxybenzene?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methoxybenzene (CID 67239911) is 1-(4-bromophenyl)sulfonyl-4-methoxybenzene.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-methoxybenzene?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-methoxybenzene is COc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-methoxybenzene?
The InChIKey is KCMFYSOHSUHVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3S/c1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12/h2-9H,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-methoxybenzene?
1-(4-bromophenyl)sulfonyl-4-methoxybenzene has a molecular weight of 327.20 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-methoxybenzene is sourced from PubChem (CID 67239911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).