4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine

C13H17BrFNO3S — CID 103697333

IUPAC4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFNO3S/c1-3-10-8-19-9(2)7-16(10)20(17,18)11-4-5-12(14)13(15)6-11/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyWGCNPJGOXXULLK-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.78
Rot. Bonds3

About 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine

4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine (PubChem CID 103697333) has the molecular formula C13H17BrFNO3S and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine
PubChem CID103697333
Molecular FormulaC13H17BrFNO3S
Molecular Weight366.25 g/mol
Exact Mass365.01
IUPAC Name4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFNO3S/c1-3-10-8-19-9(2)7-16(10)20(17,18)11-4-5-12(14)13(15)6-11/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyWGCNPJGOXXULLK-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine (CID 103697333) is 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine?
The InChIKey is WGCNPJGOXXULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3S/c1-3-10-8-19-9(2)7-16(10)20(17,18)11-4-5-12(14)13(15)6-11/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine?
4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine has a molecular weight of 366.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 103697333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).