N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide

C11H10N4O3S — CID 102693734

IUPACN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(C#CCO)n1)c1ccn[nH]1
InChIInChI=1S/C11H10N4O3S/c16-8-2-4-9-3-1-5-10(13-9)15-19(17,18)11-6-7-12-14-11/h1,3,5-7,16H,8H2,(H,12,14)(H,13,15)
InChIKeyOEQNIWKRURXLTE-UHFFFAOYSA-N
MW278.29 g/mol
LogP-0.05
Rot. Bonds3

About N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide

N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693734) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693734
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(C#CCO)n1)c1ccn[nH]1
InChIInChI=1S/C11H10N4O3S/c16-8-2-4-9-3-1-5-10(13-9)15-19(17,18)11-6-7-12-14-11/h1,3,5-7,16H,8H2,(H,12,14)(H,13,15)
InChIKeyOEQNIWKRURXLTE-UHFFFAOYSA-N
XLogP-0.05
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide (CID 102693734) is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1cccc(C#CCO)n1)c1ccn[nH]1.
What is the InChIKey of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is OEQNIWKRURXLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c16-8-2-4-9-3-1-5-10(13-9)15-19(17,18)11-6-7-12-14-11/h1,3,5-7,16H,8H2,(H,12,14)(H,13,15).
What are the key properties of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide?
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 278.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).