N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide

C14H11FN2O3S — CID 107595353

IUPACN-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1ccc(C#CCO)cc1
InChIInChI=1S/C14H11FN2O3S/c15-13-10-16-8-7-14(13)17-21(19,20)12-5-3-11(4-6-12)2-1-9-18/h3-8,10,18H,9H2,(H,16,17)
InChIKeyNQQVEVFMCWJIFJ-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.37
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide

N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide (PubChem CID 107595353) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
PubChem CID107595353
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC NameN-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1ccc(C#CCO)cc1
InChIInChI=1S/C14H11FN2O3S/c15-13-10-16-8-7-14(13)17-21(19,20)12-5-3-11(4-6-12)2-1-9-18/h3-8,10,18H,9H2,(H,16,17)
InChIKeyNQQVEVFMCWJIFJ-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'}

Analyze N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63328163
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]benzenesulfonamide
CID 60813246
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844403
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 116787673
4-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60823787
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pyridin-4-ylbenzenesulfonamide
CID 107650477
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 107595297

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide (CID 107595353) is N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide is O=S(=O)(Nc1ccncc1F)c1ccc(C#CCO)cc1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The InChIKey is NQQVEVFMCWJIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-13-10-16-8-7-14(13)17-21(19,20)12-5-3-11(4-6-12)2-1-9-18/h3-8,10,18H,9H2,(H,16,17).
What are the key properties of N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)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 N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 107595353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).