3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide

C14H12N2O3S — CID 60823189

IUPAC3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1cccc(C#CCO)c1
InChIInChI=1S/C14H12N2O3S/c17-9-3-5-12-4-1-7-14(10-12)20(18,19)16-13-6-2-8-15-11-13/h1-2,4,6-8,10-11,16-17H,9H2
InChIKeyDDXSQJBGAROVIX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.23
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide

3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 60823189) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID60823189
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1cccc(C#CCO)c1
InChIInChI=1S/C14H12N2O3S/c17-9-3-5-12-4-1-7-14(10-12)20(18,19)16-13-6-2-8-15-11-13/h1-2,4,6-8,10-11,16-17H,9H2
InChIKeyDDXSQJBGAROVIX-UHFFFAOYSA-N
XLogP1.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide
CID 60823188
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823219
3-(3-hydroxyprop-1-ynyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60823229
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001
3-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60824132
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide
CID 60814918
N-(2,3-dimethylbutyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 64598282
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823010
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811667
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
2-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]ethylurea
CID 83115510

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide (CID 60823189) is 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnc1)c1cccc(C#CCO)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is DDXSQJBGAROVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-9-3-5-12-4-1-7-14(10-12)20(18,19)16-13-6-2-8-15-11-13/h1-2,4,6-8,10-11,16-17H,9H2.
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide?
3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 60823189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).