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

C12H16BrNO5S — CID 1143556

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

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

4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 1143556) has the molecular formula C12H16BrNO5S and a molecular weight of 366.23 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine
PubChem CID1143556
Molecular FormulaC12H16BrNO5S
Molecular Weight366.23 g/mol
Exact Mass364.99
IUPAC Name4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1Br
InChIInChI=1S/C12H16BrNO5S/c1-17-10-8-12(11(18-2)7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyNGPAWJURTZBBPS-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-(2,5-Diethoxyphenyl)sulfonylmorpholine
CID 778396
4-(4-Bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2969390
1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 660834
1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
CID 566593
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide
CID 850071
4-[(5-Bromo-2-methoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2930814
4-((3-Bromo-4-methoxyphenyl)sulfonyl)morpholine
CID 765798
4-((5-Bromo-2-methoxyphenyl)sulfonyl)morpholine
CID 775747
1-(4-Bromo-2,5-dimethoxybenzenesulfonyl)piperidine
CID 1143554
4-[(2,5-Dimethoxyphenyl)sulfonyl]morpholine
CID 698263
4-(4-Fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 164676723

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine (CID 1143556) is 4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine is COc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1Br.
What is the InChIKey of 4-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is NGPAWJURTZBBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO5S/c1-17-10-8-12(11(18-2)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-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine?
4-(4-bromo-2,5-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-(4-bromo-2,5-dimethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 1143556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).