cyclobutanesulfonyl bromide

C4H7BrO2S — CID 22935865

IUPACcyclobutanesulfonyl bromide
SMILESO=S(=O)(Br)C1CCC1
InChIInChI=1S/C4H7BrO2S/c5-8(6,7)4-2-1-3-4/h4H,1-3H2
InChIKeyPQIIUCNYUJUBAW-UHFFFAOYSA-N
MW199.07 g/mol
LogP1.26
Rot. Bonds1

About cyclobutanesulfonyl bromide

cyclobutanesulfonyl bromide (PubChem CID 22935865) has the molecular formula C4H7BrO2S and a molecular weight of 199.07 g/mol. Its IUPAC name is cyclobutanesulfonyl bromide.

Molecular Properties

Compound Namecyclobutanesulfonyl bromide
PubChem CID22935865
Molecular FormulaC4H7BrO2S
Molecular Weight199.07 g/mol
Exact Mass197.94
IUPAC Namecyclobutanesulfonyl bromide
SMILESO=S(=O)(Br)C1CCC1
InChIInChI=1S/C4H7BrO2S/c5-8(6,7)4-2-1-3-4/h4H,1-3H2
InChIKeyPQIIUCNYUJUBAW-UHFFFAOYSA-N
XLogP1.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.07
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutanesulfonyl bromide?
The IUPAC name of cyclobutanesulfonyl bromide (CID 22935865) is cyclobutanesulfonyl bromide.
What is the SMILES notation for cyclobutanesulfonyl bromide?
The canonical SMILES for cyclobutanesulfonyl bromide is O=S(=O)(Br)C1CCC1.
What is the InChIKey of cyclobutanesulfonyl bromide?
The InChIKey is PQIIUCNYUJUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO2S/c5-8(6,7)4-2-1-3-4/h4H,1-3H2.
What are the key properties of cyclobutanesulfonyl bromide?
cyclobutanesulfonyl bromide has a molecular weight of 199.07 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanesulfonyl bromide is sourced from PubChem (CID 22935865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).