4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C14H18N4O2S — CID 106089546

IUPAC4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCc2cccnn2)cc1
InChIInChI=1S/C14H18N4O2S/c1-15-10-8-12-4-6-14(7-5-12)21(19,20)17-11-13-3-2-9-16-18-13/h2-7,9,15,17H,8,10-11H2,1H3
InChIKeyYVVLJPQXYGGHKN-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.72
Rot. Bonds7

About 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide

4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106089546) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106089546
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCc2cccnn2)cc1
InChIInChI=1S/C14H18N4O2S/c1-15-10-8-12-4-6-14(7-5-12)21(19,20)17-11-13-3-2-9-16-18-13/h2-7,9,15,17H,8,10-11H2,1H3
InChIKeyYVVLJPQXYGGHKN-UHFFFAOYSA-N
XLogP0.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089510
5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
CID 106089544
4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423847
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
CID 106897636
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089507
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
6-oxo-N-(pyridazin-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 106897421
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897525
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106089546) is 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide is CNCCc1ccc(S(=O)(=O)NCc2cccnn2)cc1.
What is the InChIKey of 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YVVLJPQXYGGHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-15-10-8-12-4-6-14(7-5-12)21(19,20)17-11-13-3-2-9-16-18-13/h2-7,9,15,17H,8,10-11H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).