2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide

C14H11FN2O3S — CID 60813415

IUPAC2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C#CCO)n1)c1ccccc1F
InChIInChI=1S/C14H11FN2O3S/c15-12-7-1-2-8-13(12)21(19,20)17-14-9-3-5-11(16-14)6-4-10-18/h1-3,5,7-9,18H,10H2,(H,16,17)
InChIKeyWAPURPYZAXREFF-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.37
Rot. Bonds3

About 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide

2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 60813415) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide
PubChem CID60813415
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C#CCO)n1)c1ccccc1F
InChIInChI=1S/C14H11FN2O3S/c15-12-7-1-2-8-13(12)21(19,20)17-14-9-3-5-11(16-14)6-4-10-18/h1-3,5,7-9,18H,10H2,(H,16,17)
InChIKeyWAPURPYZAXREFF-UHFFFAOYSA-N
XLogP1.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide (CID 60813415) is 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C#CCO)n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is WAPURPYZAXREFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-12-7-1-2-8-13(12)21(19,20)17-14-9-3-5-11(16-14)6-4-10-18/h1-3,5,7-9,18H,10H2,(H,16,17).
What are the key properties of 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide?
2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 60813415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).