6-oxo-1-propan-2-ylpyridine-3-sulfonamide

C8H12N2O3S — CID 137402572

IUPAC6-oxo-1-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)n1cc(S(N)(=O)=O)ccc1=O
InChIInChI=1S/C8H12N2O3S/c1-6(2)10-5-7(14(9,12)13)3-4-8(10)11/h3-6H,1-2H3,(H2,9,12,13)
InChIKeySDGLZPNOTATIHV-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.08
Rot. Bonds2

About 6-oxo-1-propan-2-ylpyridine-3-sulfonamide

6-oxo-1-propan-2-ylpyridine-3-sulfonamide (PubChem CID 137402572) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 6-oxo-1-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-1-propan-2-ylpyridine-3-sulfonamide
PubChem CID137402572
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name6-oxo-1-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)n1cc(S(N)(=O)=O)ccc1=O
InChIInChI=1S/C8H12N2O3S/c1-6(2)10-5-7(14(9,12)13)3-4-8(10)11/h3-6H,1-2H3,(H2,9,12,13)
InChIKeySDGLZPNOTATIHV-UHFFFAOYSA-N
XLogP0.08
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide
CID 137403126
CID 89426860
CID 89426860
N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612172
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612374
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 167438289
benzenesulfonamide;2-methylpropane
CID 157350693
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
4-pentan-2-ylbenzenesulfonamide
CID 134449965
1-(2-hydroxypropyl)pyrazole-4-sulfonamide
CID 130536517
4-[2-[4-(1-chloroethyl)triazol-1-yl]ethoxy]benzenesulfonamide
CID 81448932

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-oxo-1-propan-2-ylpyridine-3-sulfonamide (CID 137402572) is 6-oxo-1-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-1-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-1-propan-2-ylpyridine-3-sulfonamide is CC(C)n1cc(S(N)(=O)=O)ccc1=O.
What is the InChIKey of 6-oxo-1-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is SDGLZPNOTATIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-6(2)10-5-7(14(9,12)13)3-4-8(10)11/h3-6H,1-2H3,(H2,9,12,13).
What are the key properties of 6-oxo-1-propan-2-ylpyridine-3-sulfonamide?
6-oxo-1-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 137402572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).