3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine

C10H11BrFNO2S — CID 168724955

IUPAC3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine
SMILESCN1CC(S(=O)(=O)c2cc(F)ccc2Br)C1
InChIInChI=1S/C10H11BrFNO2S/c1-13-5-8(6-13)16(14,15)10-4-7(12)2-3-9(10)11/h2-4,8H,5-6H2,1H3
InChIKeyURLSXUAIGCOFLH-UHFFFAOYSA-N
MW308.17 g/mol
LogP1.68
Rot. Bonds2

About 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine

3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine (PubChem CID 168724955) has the molecular formula C10H11BrFNO2S and a molecular weight of 308.17 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine
PubChem CID168724955
Molecular FormulaC10H11BrFNO2S
Molecular Weight308.17 g/mol
Exact Mass306.97
IUPAC Name3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine
SMILESCN1CC(S(=O)(=O)c2cc(F)ccc2Br)C1
InChIInChI=1S/C10H11BrFNO2S/c1-13-5-8(6-13)16(14,15)10-4-7(12)2-3-9(10)11/h2-4,8H,5-6H2,1H3
InChIKeyURLSXUAIGCOFLH-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine (CID 168724955) is 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine is CN1CC(S(=O)(=O)c2cc(F)ccc2Br)C1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine?
The InChIKey is URLSXUAIGCOFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2S/c1-13-5-8(6-13)16(14,15)10-4-7(12)2-3-9(10)11/h2-4,8H,5-6H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine?
3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine has a molecular weight of 308.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)sulfonyl-1-methylazetidine is sourced from PubChem (CID 168724955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).