4-bromo-2-ethenylsulfonyl-1-methoxybenzene

C9H9BrO3S — CID 23466786

IUPAC4-bromo-2-ethenylsulfonyl-1-methoxybenzene
SMILESC=CS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H9BrO3S/c1-3-14(11,12)9-6-7(10)4-5-8(9)13-2/h3-6H,1H2,2H3
InChIKeyBBEATTVDIBMYBO-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.37
Rot. Bonds3

About 4-bromo-2-ethenylsulfonyl-1-methoxybenzene

4-bromo-2-ethenylsulfonyl-1-methoxybenzene (PubChem CID 23466786) has the molecular formula C9H9BrO3S and a molecular weight of 277.14 g/mol. Its IUPAC name is 4-bromo-2-ethenylsulfonyl-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-ethenylsulfonyl-1-methoxybenzene
PubChem CID23466786
Molecular FormulaC9H9BrO3S
Molecular Weight277.14 g/mol
Exact Mass275.95
IUPAC Name4-bromo-2-ethenylsulfonyl-1-methoxybenzene
SMILESC=CS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H9BrO3S/c1-3-14(11,12)9-6-7(10)4-5-8(9)13-2/h3-6H,1H2,2H3
InChIKeyBBEATTVDIBMYBO-UHFFFAOYSA-N
XLogP2.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzene, 1-bromo-4-(4-(methylsulfonyl)phenoxy)-
CID 514877
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
5-Bromo-2-ethoxybenzenesulfonamide
CID 2321418
5-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 520020
5-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 935464
5-Bromo-2-ethoxybenzene-1-sulfonyl chloride
CID 3688333
6-Bromo-2,3-dihydro-1,4lambda6-benzoxathiine-4,4-dione
CID 131168112
5-Bromo-2-methoxybenzenesulphonamide
CID 8317967
5-Bromo-2-methoxybenzenethiol
CID 11276017
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
5-Bromo-2-propoxybenzene-1-sulfonyl chloride
CID 45156417
5-Bromo-3-fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 50989184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethenylsulfonyl-1-methoxybenzene?
The IUPAC name of 4-bromo-2-ethenylsulfonyl-1-methoxybenzene (CID 23466786) is 4-bromo-2-ethenylsulfonyl-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-ethenylsulfonyl-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-ethenylsulfonyl-1-methoxybenzene is C=CS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 4-bromo-2-ethenylsulfonyl-1-methoxybenzene?
The InChIKey is BBEATTVDIBMYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3S/c1-3-14(11,12)9-6-7(10)4-5-8(9)13-2/h3-6H,1H2,2H3.
What are the key properties of 4-bromo-2-ethenylsulfonyl-1-methoxybenzene?
4-bromo-2-ethenylsulfonyl-1-methoxybenzene has a molecular weight of 277.14 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethenylsulfonyl-1-methoxybenzene is sourced from PubChem (CID 23466786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).