3-(benzenesulfonyl)-4-bromooxolane

C10H11BrO3S — CID 12543461

IUPAC3-(benzenesulfonyl)-4-bromooxolane
SMILESO=S(=O)(c1ccccc1)C1COCC1Br
InChIInChI=1S/C10H11BrO3S/c11-9-6-14-7-10(9)15(12,13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyFONBYZBCFVFQBU-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.62
Rot. Bonds2

About 3-(benzenesulfonyl)-4-bromooxolane

3-(benzenesulfonyl)-4-bromooxolane (PubChem CID 12543461) has the molecular formula C10H11BrO3S and a molecular weight of 291.17 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-bromooxolane.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-bromooxolane
PubChem CID12543461
Molecular FormulaC10H11BrO3S
Molecular Weight291.17 g/mol
Exact Mass289.96
IUPAC Name3-(benzenesulfonyl)-4-bromooxolane
SMILESO=S(=O)(c1ccccc1)C1COCC1Br
InChIInChI=1S/C10H11BrO3S/c11-9-6-14-7-10(9)15(12,13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyFONBYZBCFVFQBU-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
6-(benzenesulfonyl)-2-oxaspiro[3.3]heptane
CID 86685334
(1R,3R,4S,6S,8R)-4-(benzenesulfonyl)tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 98557719
4-(benzenesulfonyl)-6-methyloxan-3-ol
CID 101176023
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
CID 99999364
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299
9-(benzenesulfonyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 74340992
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane
CID 102080205

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-bromooxolane?
The IUPAC name of 3-(benzenesulfonyl)-4-bromooxolane (CID 12543461) is 3-(benzenesulfonyl)-4-bromooxolane.
What is the SMILES notation for 3-(benzenesulfonyl)-4-bromooxolane?
The canonical SMILES for 3-(benzenesulfonyl)-4-bromooxolane is O=S(=O)(c1ccccc1)C1COCC1Br.
What is the InChIKey of 3-(benzenesulfonyl)-4-bromooxolane?
The InChIKey is FONBYZBCFVFQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3S/c11-9-6-14-7-10(9)15(12,13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2.
What are the key properties of 3-(benzenesulfonyl)-4-bromooxolane?
3-(benzenesulfonyl)-4-bromooxolane has a molecular weight of 291.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-bromooxolane is sourced from PubChem (CID 12543461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).