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

C12H16BrNO5S — CID 13458319

IUPAC4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C12H16BrNO5S/c1-17-10-8-11(18-2)12(7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyDGFXLVLXEDOROA-UHFFFAOYSA-N
MW366.23 g/mol
LogP1.49
Rot. Bonds4

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

4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 13458319) has the molecular formula C12H16BrNO5S and a molecular weight of 366.23 g/mol. Its IUPAC name is 4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
PubChem CID13458319
Molecular FormulaC12H16BrNO5S
Molecular Weight366.23 g/mol
Exact Mass364.99
IUPAC Name4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C12H16BrNO5S/c1-17-10-8-11(18-2)12(7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyDGFXLVLXEDOROA-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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Related Compounds

4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
1-(5-bromo-2,4-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959404
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine
CID 21210207
(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid
CID 131749272
[4-(5-bromo-2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23964874
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1294502
1-[1-(5-bromo-2,4-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977978
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
CID 48944322

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine (CID 13458319) is 4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine is COc1cc(OC)c(S(=O)(=O)N2CCOCC2)cc1Br.
What is the InChIKey of 4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is DGFXLVLXEDOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO5S/c1-17-10-8-11(18-2)12(7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine?
4-(5-bromo-2,4-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-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 13458319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).