4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine

C12H14BrNO3S — CID 767424

IUPAC4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine
SMILESO=S(=O)(/C=C/c1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C12H14BrNO3S/c13-12-3-1-2-11(10-12)4-9-18(15,16)14-5-7-17-8-6-14/h1-4,9-10H,5-8H2/b9-4+
InChIKeyIFHKDQTWRNRUPN-RUDMXATFSA-N
MW332.22 g/mol
LogP2.08
Rot. Bonds3

About 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine

4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine (PubChem CID 767424) has the molecular formula C12H14BrNO3S and a molecular weight of 332.22 g/mol. Its IUPAC name is 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine
PubChem CID767424
Molecular FormulaC12H14BrNO3S
Molecular Weight332.22 g/mol
Exact Mass330.99
IUPAC Name4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine
SMILESO=S(=O)(/C=C/c1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C12H14BrNO3S/c13-12-3-1-2-11(10-12)4-9-18(15,16)14-5-7-17-8-6-14/h1-4,9-10H,5-8H2/b9-4+
InChIKeyIFHKDQTWRNRUPN-RUDMXATFSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine?
The IUPAC name of 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine (CID 767424) is 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine?
The canonical SMILES for 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine is O=S(=O)(/C=C/c1cccc(Br)c1)N1CCOCC1.
What is the InChIKey of 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine?
The InChIKey is IFHKDQTWRNRUPN-RUDMXATFSA-N. The full InChI is InChI=1S/C12H14BrNO3S/c13-12-3-1-2-11(10-12)4-9-18(15,16)14-5-7-17-8-6-14/h1-4,9-10H,5-8H2/b9-4+.
What are the key properties of 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine?
4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine has a molecular weight of 332.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-bromophenyl)ethenyl]sulfonylmorpholine is sourced from PubChem (CID 767424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).