(3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine

C11H13BrFNO3S — CID 51889745

IUPAC(3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine
SMILESC[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H13BrFNO3S/c1-8-7-17-5-4-14(8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyHHFPMKXAPIRRON-MRVPVSSYSA-N
MW338.20 g/mol
LogP2.00
Rot. Bonds2

About (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine

(3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine (PubChem CID 51889745) has the molecular formula C11H13BrFNO3S and a molecular weight of 338.20 g/mol. Its IUPAC name is (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine
PubChem CID51889745
Molecular FormulaC11H13BrFNO3S
Molecular Weight338.20 g/mol
Exact Mass336.98
IUPAC Name(3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine
SMILESC[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H13BrFNO3S/c1-8-7-17-5-4-14(8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyHHFPMKXAPIRRON-MRVPVSSYSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-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 (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine?
The IUPAC name of (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine (CID 51889745) is (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine.
What is the SMILES notation for (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine?
The canonical SMILES for (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine is C[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine?
The InChIKey is HHFPMKXAPIRRON-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrFNO3S/c1-8-7-17-5-4-14(8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine?
(3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine has a molecular weight of 338.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-bromo-4-fluorophenyl)sulfonyl-3-methylmorpholine is sourced from PubChem (CID 51889745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).