5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide

C13H12N4O3S — CID 106897522

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cccnn1)c1cncc(C#CCO)c1
InChIInChI=1S/C13H12N4O3S/c18-6-2-3-11-7-13(10-14-8-11)21(19,20)16-9-12-4-1-5-15-17-12/h1,4-5,7-8,10,16,18H,6,9H2
InChIKeyJTGVWIFKVAVLEO-UHFFFAOYSA-N
MW304.33 g/mol
LogP-0.31
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide

5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106897522) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID106897522
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cccnn1)c1cncc(C#CCO)c1
InChIInChI=1S/C13H12N4O3S/c18-6-2-3-11-7-13(10-14-8-11)21(19,20)16-9-12-4-1-5-15-17-12/h1,4-5,7-8,10,16,18H,6,9H2
InChIKeyJTGVWIFKVAVLEO-UHFFFAOYSA-N
XLogP-0.31
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide 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-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897525
5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407075
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106098233
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 116787673
2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
CID 106897636
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781
6-oxo-N-(pyridazin-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 106897421
N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
CID 62199719
5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094462

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide (CID 106897522) is 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCc1cccnn1)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is JTGVWIFKVAVLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c18-6-2-3-11-7-13(10-14-8-11)21(19,20)16-9-12-4-1-5-15-17-12/h1,4-5,7-8,10,16,18H,6,9H2.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide?
5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106897522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).