4-(4-bromophenyl)sulfonyloxane

C11H13BrO3S — CID 59495199

IUPAC4-(4-bromophenyl)sulfonyloxane
SMILESO=S(=O)(c1ccc(Br)cc1)C1CCOCC1
InChIInChI=1S/C11H13BrO3S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,11H,5-8H2
InChIKeyKNDGEIZUOQKMHB-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.40
Rot. Bonds2

About 4-(4-bromophenyl)sulfonyloxane

4-(4-bromophenyl)sulfonyloxane (PubChem CID 59495199) has the molecular formula C11H13BrO3S and a molecular weight of 305.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyloxane.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyloxane
PubChem CID59495199
Molecular FormulaC11H13BrO3S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name4-(4-bromophenyl)sulfonyloxane
SMILESO=S(=O)(c1ccc(Br)cc1)C1CCOCC1
InChIInChI=1S/C11H13BrO3S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,11H,5-8H2
InChIKeyKNDGEIZUOQKMHB-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyloxane?
The IUPAC name of 4-(4-bromophenyl)sulfonyloxane (CID 59495199) is 4-(4-bromophenyl)sulfonyloxane.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyloxane?
The canonical SMILES for 4-(4-bromophenyl)sulfonyloxane is O=S(=O)(c1ccc(Br)cc1)C1CCOCC1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyloxane?
The InChIKey is KNDGEIZUOQKMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,11H,5-8H2.
What are the key properties of 4-(4-bromophenyl)sulfonyloxane?
4-(4-bromophenyl)sulfonyloxane has a molecular weight of 305.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyloxane is sourced from PubChem (CID 59495199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).