5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide

C13H14N4O3S — CID 106217869

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cncc(C#CCO)c1)c1cn[nH]c1
InChIInChI=1S/C13H14N4O3S/c1-10(12-7-15-16-8-12)17-21(19,20)13-5-11(3-2-4-18)6-14-9-13/h5-10,17-18H,4H2,1H3,(H,15,16)
InChIKeyZDSQAQUERYPLTO-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.19
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide

5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106217869) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106217869
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cncc(C#CCO)c1)c1cn[nH]c1
InChIInChI=1S/C13H14N4O3S/c1-10(12-7-15-16-8-12)17-21(19,20)13-5-11(3-2-4-18)6-14-9-13/h5-10,17-18H,4H2,1H3,(H,15,16)
InChIKeyZDSQAQUERYPLTO-UHFFFAOYSA-N
XLogP0.19
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217870
N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
CID 62199719
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212
2-iodo-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208885
5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218370
3-amino-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208367
2-hydroxy-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208820

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide (CID 106217869) is 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cncc(C#CCO)c1)c1cn[nH]c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is ZDSQAQUERYPLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-10(12-7-15-16-8-12)17-21(19,20)13-5-11(3-2-4-18)6-14-9-13/h5-10,17-18H,4H2,1H3,(H,15,16).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide?
5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106217869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).