5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide

C10H11ClN2O3S — CID 113478107

IUPAC5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3S/c1-3-4-7(2)13-17(15,16)8-5-9(11)10(14)12-6-8/h1,5-7,13H,4H2,2H3,(H,12,14)
InChIKeyXNIVDXRUPQVDPQ-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.72
Rot. Bonds4

About 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide

5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide (PubChem CID 113478107) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide
PubChem CID113478107
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3S/c1-3-4-7(2)13-17(15,16)8-5-9(11)10(14)12-6-8/h1,5-7,13H,4H2,2H3,(H,12,14)
InChIKeyXNIVDXRUPQVDPQ-UHFFFAOYSA-N
XLogP0.72
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 83186740
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
5-chloro-N-(1-methylsulfinylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113486689
5-chloro-N-(1-ethoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608286
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid
CID 64608093
4-chloro-N-pent-4-yn-2-ylbenzenesulfonamide
CID 115662676
methyl (2S)-2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-3-methylbutanoate
CID 64607131
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
3-chloro-4-methyl-5-nitro-N-pent-4-yn-2-ylbenzenesulfonamide
CID 115662693
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034
5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64609039
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide (CID 113478107) is 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide is C#CCC(C)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide?
The InChIKey is XNIVDXRUPQVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c1-3-4-7(2)13-17(15,16)8-5-9(11)10(14)12-6-8/h1,5-7,13H,4H2,2H3,(H,12,14).
What are the key properties of 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide?
5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide has a molecular weight of 274.73 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 113478107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).