4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine

C12H15BrFNO3S — CID 103697342

IUPAC4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCO1
InChIInChI=1S/C12H15BrFNO3S/c1-12(2)8-15(5-6-18-12)19(16,17)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyCAAPHEQAOVHARG-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.39
Rot. Bonds2

About 4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine

4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine (PubChem CID 103697342) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
PubChem CID103697342
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCO1
InChIInChI=1S/C12H15BrFNO3S/c1-12(2)8-15(5-6-18-12)19(16,17)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyCAAPHEQAOVHARG-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine (CID 103697342) is 4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine is CC1(C)CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCO1.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine?
The InChIKey is CAAPHEQAOVHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c1-12(2)8-15(5-6-18-12)19(16,17)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine?
4-(4-bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine has a molecular weight of 352.23 g/mol, XLogP of 2.39, 2 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-2,2-dimethylmorpholine is sourced from PubChem (CID 103697342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).