2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C13H15ClN4O2S — CID 106089471

IUPAC2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)NCc2cccnn2)c1
InChIInChI=1S/C13H15ClN4O2S/c1-15-8-10-4-5-12(14)13(7-10)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3
InChIKeyBQVKRGZOAPYLDJ-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.33
Rot. Bonds6

About 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106089471) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106089471
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)NCc2cccnn2)c1
InChIInChI=1S/C13H15ClN4O2S/c1-15-8-10-4-5-12(14)13(7-10)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3
InChIKeyBQVKRGZOAPYLDJ-UHFFFAOYSA-N
XLogP1.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(methylaminomethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106089471) is 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is CNCc1ccc(Cl)c(S(=O)(=O)NCc2cccnn2)c1.
What is the InChIKey of 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is BQVKRGZOAPYLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-15-8-10-4-5-12(14)13(7-10)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3.
What are the key properties of 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).