4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C14H14N4O2S — CID 106897525

IUPAC4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNCC#Cc1ccc(S(=O)(=O)NCc2cccnn2)cc1
InChIInChI=1S/C14H14N4O2S/c15-9-1-3-12-5-7-14(8-6-12)21(19,20)17-11-13-4-2-10-16-18-13/h2,4-8,10,17H,9,11,15H2
InChIKeyFKSDSNSMTGOWNV-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.27
Rot. Bonds4

About 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106897525) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106897525
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNCC#Cc1ccc(S(=O)(=O)NCc2cccnn2)cc1
InChIInChI=1S/C14H14N4O2S/c15-9-1-3-12-5-7-14(8-6-12)21(19,20)17-11-13-4-2-10-16-18-13/h2,4-8,10,17H,9,11,15H2
InChIKeyFKSDSNSMTGOWNV-UHFFFAOYSA-N
XLogP0.27
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)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

N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
4-(3-aminoprop-1-ynyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60846057
4-(3-aminoprop-1-ynyl)-N-benzylbenzenesulfonamide
CID 60845155
5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106897522
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
4-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844825
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
6-oxo-N-(pyridazin-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 106897421
3-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanamide
CID 54926683
4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461366
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106897525) is 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is NCC#Cc1ccc(S(=O)(=O)NCc2cccnn2)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is FKSDSNSMTGOWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-9-1-3-12-5-7-14(8-6-12)21(19,20)17-11-13-4-2-10-16-18-13/h2,4-8,10,17H,9,11,15H2.
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106897525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).