4-bromo-2-ethenylsulfonylphenol

C8H7BrO3S — CID 139225313

IUPAC4-bromo-2-ethenylsulfonylphenol
SMILESC=CS(=O)(=O)c1cc(Br)ccc1O
InChIInChI=1S/C8H7BrO3S/c1-2-13(11,12)8-5-6(9)3-4-7(8)10/h2-5,10H,1H2
InChIKeyCSFMUMKMYGNXMN-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.07
Rot. Bonds2

About 4-bromo-2-ethenylsulfonylphenol

4-bromo-2-ethenylsulfonylphenol (PubChem CID 139225313) has the molecular formula C8H7BrO3S and a molecular weight of 263.11 g/mol. Its IUPAC name is 4-bromo-2-ethenylsulfonylphenol.

Molecular Properties

Compound Name4-bromo-2-ethenylsulfonylphenol
PubChem CID139225313
Molecular FormulaC8H7BrO3S
Molecular Weight263.11 g/mol
Exact Mass261.93
IUPAC Name4-bromo-2-ethenylsulfonylphenol
SMILESC=CS(=O)(=O)c1cc(Br)ccc1O
InChIInChI=1S/C8H7BrO3S/c1-2-13(11,12)8-5-6(9)3-4-7(8)10/h2-5,10H,1H2
InChIKeyCSFMUMKMYGNXMN-UHFFFAOYSA-N
XLogP2.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethenylsulfonylphenol?
The IUPAC name of 4-bromo-2-ethenylsulfonylphenol (CID 139225313) is 4-bromo-2-ethenylsulfonylphenol.
What is the SMILES notation for 4-bromo-2-ethenylsulfonylphenol?
The canonical SMILES for 4-bromo-2-ethenylsulfonylphenol is C=CS(=O)(=O)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-ethenylsulfonylphenol?
The InChIKey is CSFMUMKMYGNXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3S/c1-2-13(11,12)8-5-6(9)3-4-7(8)10/h2-5,10H,1H2.
What are the key properties of 4-bromo-2-ethenylsulfonylphenol?
4-bromo-2-ethenylsulfonylphenol has a molecular weight of 263.11 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethenylsulfonylphenol is sourced from PubChem (CID 139225313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).