4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine

C9H12BrNO4S2 — CID 59654484

IUPAC4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine
SMILESCOc1c(Br)csc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H12BrNO4S2/c1-14-8-7(10)6-16-9(8)17(12,13)11-2-4-15-5-3-11/h6H,2-5H2,1H3
InChIKeyZJFLQYBTWVLVMZ-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.54
Rot. Bonds3

About 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine

4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine (PubChem CID 59654484) has the molecular formula C9H12BrNO4S2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine
PubChem CID59654484
Molecular FormulaC9H12BrNO4S2
Molecular Weight342.24 g/mol
Exact Mass340.94
IUPAC Name4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine
SMILESCOc1c(Br)csc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H12BrNO4S2/c1-14-8-7(10)6-16-9(8)17(12,13)11-2-4-15-5-3-11/h6H,2-5H2,1H3
InChIKeyZJFLQYBTWVLVMZ-UHFFFAOYSA-N
XLogP1.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319
4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine
CID 18191807
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
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CID 110758314
1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
CID 118477196
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
CID 48944322
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 43456060
4-(benzenesulfonyl)morpholine;ethane
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CID 1349058

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine?
The IUPAC name of 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine (CID 59654484) is 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine?
The canonical SMILES for 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine is COc1c(Br)csc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine?
The InChIKey is ZJFLQYBTWVLVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO4S2/c1-14-8-7(10)6-16-9(8)17(12,13)11-2-4-15-5-3-11/h6H,2-5H2,1H3.
What are the key properties of 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine?
4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine has a molecular weight of 342.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine is sourced from PubChem (CID 59654484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).