4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine

C12H15BrFNO3S — CID 60823760

IUPAC4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO3S/c1-2-10-8-18-6-5-15(10)19(16,17)12-4-3-9(14)7-11(12)13/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyPXKWUOBXQPTFOV-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.39
Rot. Bonds3

About 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine

4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine (PubChem CID 60823760) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine
PubChem CID60823760
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO3S/c1-2-10-8-18-6-5-15(10)19(16,17)12-4-3-9(14)7-11(12)13/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyPXKWUOBXQPTFOV-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine (CID 60823760) is 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine is CCC1COCCN1S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine?
The InChIKey is PXKWUOBXQPTFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c1-2-10-8-18-6-5-15(10)19(16,17)12-4-3-9(14)7-11(12)13/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine?
4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine has a molecular weight of 352.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenyl)sulfonyl-3-ethylmorpholine is sourced from PubChem (CID 60823760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).