2-(4-bromophenyl)sulfonyloxirane

C8H7BrO3S — CID 66572374

IUPAC2-(4-bromophenyl)sulfonyloxirane
SMILESO=S(=O)(c1ccc(Br)cc1)C1CO1
InChIInChI=1S/C8H7BrO3S/c9-6-1-3-7(4-2-6)13(10,11)8-5-12-8/h1-4,8H,5H2
InChIKeySMXNPAMTKHPBBD-UHFFFAOYSA-N
MW263.11 g/mol
LogP1.58
Rot. Bonds2

About 2-(4-bromophenyl)sulfonyloxirane

2-(4-bromophenyl)sulfonyloxirane (PubChem CID 66572374) has the molecular formula C8H7BrO3S and a molecular weight of 263.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyloxirane.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyloxirane
PubChem CID66572374
Molecular FormulaC8H7BrO3S
Molecular Weight263.11 g/mol
Exact Mass261.93
IUPAC Name2-(4-bromophenyl)sulfonyloxirane
SMILESO=S(=O)(c1ccc(Br)cc1)C1CO1
InChIInChI=1S/C8H7BrO3S/c9-6-1-3-7(4-2-6)13(10,11)8-5-12-8/h1-4,8H,5H2
InChIKeySMXNPAMTKHPBBD-UHFFFAOYSA-N
XLogP1.58
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfonyloxirane
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4-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
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CID 106584989
3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
CID 106585002
2-(4-bromophenyl)sulfonylcycloheptan-1-amine
CID 64646056
4-bromobenzenesulfonyl chloride
CID 174561770
barium(2+);bis(4-bromobenzenesulfonate)
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1-bromo-4-(2,2-dichlorocyclohexyl)sulfonylbenzene
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CID 15474559

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyloxirane?
The IUPAC name of 2-(4-bromophenyl)sulfonyloxirane (CID 66572374) is 2-(4-bromophenyl)sulfonyloxirane.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyloxirane?
The canonical SMILES for 2-(4-bromophenyl)sulfonyloxirane is O=S(=O)(c1ccc(Br)cc1)C1CO1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyloxirane?
The InChIKey is SMXNPAMTKHPBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3S/c9-6-1-3-7(4-2-6)13(10,11)8-5-12-8/h1-4,8H,5H2.
What are the key properties of 2-(4-bromophenyl)sulfonyloxirane?
2-(4-bromophenyl)sulfonyloxirane has a molecular weight of 263.11 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyloxirane is sourced from PubChem (CID 66572374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).