cycloheptanesulfonyl bromide

C7H13BrO2S — CID 22935869

IUPACcycloheptanesulfonyl bromide
SMILESO=S(=O)(Br)C1CCCCCC1
InChIInChI=1S/C7H13BrO2S/c8-11(9,10)7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKeyCWDZXZRHYJYYQA-UHFFFAOYSA-N
MW241.15 g/mol
LogP2.43
Rot. Bonds1

About cycloheptanesulfonyl bromide

cycloheptanesulfonyl bromide (PubChem CID 22935869) has the molecular formula C7H13BrO2S and a molecular weight of 241.15 g/mol. Its IUPAC name is cycloheptanesulfonyl bromide.

Molecular Properties

Compound Namecycloheptanesulfonyl bromide
PubChem CID22935869
Molecular FormulaC7H13BrO2S
Molecular Weight241.15 g/mol
Exact Mass239.98
IUPAC Namecycloheptanesulfonyl bromide
SMILESO=S(=O)(Br)C1CCCCCC1
InChIInChI=1S/C7H13BrO2S/c8-11(9,10)7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKeyCWDZXZRHYJYYQA-UHFFFAOYSA-N
XLogP2.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloheptanesulfonyl bromide?
The IUPAC name of cycloheptanesulfonyl bromide (CID 22935869) is cycloheptanesulfonyl bromide.
What is the SMILES notation for cycloheptanesulfonyl bromide?
The canonical SMILES for cycloheptanesulfonyl bromide is O=S(=O)(Br)C1CCCCCC1.
What is the InChIKey of cycloheptanesulfonyl bromide?
The InChIKey is CWDZXZRHYJYYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO2S/c8-11(9,10)7-5-3-1-2-4-6-7/h7H,1-6H2.
What are the key properties of cycloheptanesulfonyl bromide?
cycloheptanesulfonyl bromide has a molecular weight of 241.15 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanesulfonyl bromide is sourced from PubChem (CID 22935869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).