3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one

C9H11BrN2O4S — CID 102538904

IUPAC3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one
SMILESO=c1c(Br)c[nH]cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H11BrN2O4S/c10-7-5-11-6-8(9(7)13)17(14,15)12-1-3-16-4-2-12/h5-6H,1-4H2,(H,11,13)
InChIKeyDWDCWAIORXKGDQ-UHFFFAOYSA-N
MW323.17 g/mol
LogP0.16
Rot. Bonds2

About 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one

3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one (PubChem CID 102538904) has the molecular formula C9H11BrN2O4S and a molecular weight of 323.17 g/mol. Its IUPAC name is 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one
PubChem CID102538904
Molecular FormulaC9H11BrN2O4S
Molecular Weight323.17 g/mol
Exact Mass321.96
IUPAC Name3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one
SMILESO=c1c(Br)c[nH]cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H11BrN2O4S/c10-7-5-11-6-8(9(7)13)17(14,15)12-1-3-16-4-2-12/h5-6H,1-4H2,(H,11,13)
InChIKeyDWDCWAIORXKGDQ-UHFFFAOYSA-N
XLogP0.16
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one (CID 102538904) is 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one is O=c1c(Br)c[nH]cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one?
The InChIKey is DWDCWAIORXKGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O4S/c10-7-5-11-6-8(9(7)13)17(14,15)12-1-3-16-4-2-12/h5-6H,1-4H2,(H,11,13).
What are the key properties of 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one?
3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one has a molecular weight of 323.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one is sourced from PubChem (CID 102538904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).