4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine

C12H16BrNO5S — CID 990999

IUPAC4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(Br)c(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C12H16BrNO5S/c1-17-10-7-9(13)12(8-11(10)18-2)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyYBRZMROHUHAATF-UHFFFAOYSA-N
MW366.23 g/mol
LogP1.49
Rot. Bonds4

About 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine

4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 990999) has the molecular formula C12H16BrNO5S and a molecular weight of 366.23 g/mol. Its IUPAC name is 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine
PubChem CID990999
Molecular FormulaC12H16BrNO5S
Molecular Weight366.23 g/mol
Exact Mass364.99
IUPAC Name4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(Br)c(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C12H16BrNO5S/c1-17-10-7-9(13)12(8-11(10)18-2)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyYBRZMROHUHAATF-UHFFFAOYSA-N
XLogP1.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine (CID 990999) is 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine is COc1cc(Br)c(S(=O)(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is YBRZMROHUHAATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO5S/c1-17-10-7-9(13)12(8-11(10)18-2)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine?
4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine has a molecular weight of 366.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,5-dimethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 990999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).