5-bromo-2-oxo-1-propylpyridine-3-sulfonamide

C8H11BrN2O3S — CID 22373591

IUPAC5-bromo-2-oxo-1-propylpyridine-3-sulfonamide
SMILESCCCn1cc(Br)cc(S(N)(=O)=O)c1=O
InChIInChI=1S/C8H11BrN2O3S/c1-2-3-11-5-6(9)4-7(8(11)12)15(10,13)14/h4-5H,2-3H2,1H3,(H2,10,13,14)
InChIKeyLERTVISRJJPWCO-UHFFFAOYSA-N
MW295.16 g/mol
LogP0.67
Rot. Bonds3

About 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide

5-bromo-2-oxo-1-propylpyridine-3-sulfonamide (PubChem CID 22373591) has the molecular formula C8H11BrN2O3S and a molecular weight of 295.16 g/mol. Its IUPAC name is 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-oxo-1-propylpyridine-3-sulfonamide
PubChem CID22373591
Molecular FormulaC8H11BrN2O3S
Molecular Weight295.16 g/mol
Exact Mass293.97
IUPAC Name5-bromo-2-oxo-1-propylpyridine-3-sulfonamide
SMILESCCCn1cc(Br)cc(S(N)(=O)=O)c1=O
InChIInChI=1S/C8H11BrN2O3S/c1-2-3-11-5-6(9)4-7(8(11)12)15(10,13)14/h4-5H,2-3H2,1H3,(H2,10,13,14)
InChIKeyLERTVISRJJPWCO-UHFFFAOYSA-N
XLogP0.67
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide (CID 22373591) is 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide is CCCn1cc(Br)cc(S(N)(=O)=O)c1=O.
What is the InChIKey of 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide?
The InChIKey is LERTVISRJJPWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S/c1-2-3-11-5-6(9)4-7(8(11)12)15(10,13)14/h4-5H,2-3H2,1H3,(H2,10,13,14).
What are the key properties of 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide?
5-bromo-2-oxo-1-propylpyridine-3-sulfonamide has a molecular weight of 295.16 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-oxo-1-propylpyridine-3-sulfonamide is sourced from PubChem (CID 22373591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).