4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C13H18BrNO4S — CID 2930814

IUPAC4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18BrNO4S/c1-9-7-15(8-10(2)19-9)20(16,17)13-6-11(14)4-5-12(13)18-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyKEZRPKKNAHONOX-UHFFFAOYSA-N
MW364.26 g/mol
LogP2.26
Rot. Bonds3

About 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine

4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2930814) has the molecular formula C13H18BrNO4S and a molecular weight of 364.26 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2930814
Molecular FormulaC13H18BrNO4S
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18BrNO4S/c1-9-7-15(8-10(2)19-9)20(16,17)13-6-11(14)4-5-12(13)18-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyKEZRPKKNAHONOX-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 2930814) is 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine is COc1ccc(Br)cc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is KEZRPKKNAHONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S/c1-9-7-15(8-10(2)19-9)20(16,17)13-6-11(14)4-5-12(13)18-3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 364.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2930814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).