2-(4-bromophenyl)sulfonyloxane

C11H13BrO3S — CID 70501464

IUPAC2-(4-bromophenyl)sulfonyloxane
SMILESO=S(=O)(c1ccc(Br)cc1)C1CCCCO1
InChIInChI=1S/C11H13BrO3S/c12-9-4-6-10(7-5-9)16(13,14)11-3-1-2-8-15-11/h4-7,11H,1-3,8H2
InChIKeyRYGMSLABNVZLQV-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.75
Rot. Bonds2

About 2-(4-bromophenyl)sulfonyloxane

2-(4-bromophenyl)sulfonyloxane (PubChem CID 70501464) has the molecular formula C11H13BrO3S and a molecular weight of 305.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyloxane.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyloxane
PubChem CID70501464
Molecular FormulaC11H13BrO3S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name2-(4-bromophenyl)sulfonyloxane
SMILESO=S(=O)(c1ccc(Br)cc1)C1CCCCO1
InChIInChI=1S/C11H13BrO3S/c12-9-4-6-10(7-5-9)16(13,14)11-3-1-2-8-15-11/h4-7,11H,1-3,8H2
InChIKeyRYGMSLABNVZLQV-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyloxane?
The IUPAC name of 2-(4-bromophenyl)sulfonyloxane (CID 70501464) is 2-(4-bromophenyl)sulfonyloxane.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyloxane?
The canonical SMILES for 2-(4-bromophenyl)sulfonyloxane is O=S(=O)(c1ccc(Br)cc1)C1CCCCO1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyloxane?
The InChIKey is RYGMSLABNVZLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3S/c12-9-4-6-10(7-5-9)16(13,14)11-3-1-2-8-15-11/h4-7,11H,1-3,8H2.
What are the key properties of 2-(4-bromophenyl)sulfonyloxane?
2-(4-bromophenyl)sulfonyloxane has a molecular weight of 305.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyloxane is sourced from PubChem (CID 70501464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).