N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

C13H12ClN3O4S — CID 167764282

IUPACN-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
SMILESCN(c1ccc(Cl)nn1)S(=O)(=O)c1cccc2c1OCCO2
InChIInChI=1S/C13H12ClN3O4S/c1-17(12-6-5-11(14)15-16-12)22(18,19)10-4-2-3-9-13(10)21-8-7-20-9/h2-6H,7-8H2,1H3
InChIKeyWZAJYGDHTIDFRR-UHFFFAOYSA-N
MW341.78 g/mol
LogP1.73
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide (PubChem CID 167764282) has the molecular formula C13H12ClN3O4S and a molecular weight of 341.78 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
PubChem CID167764282
Molecular FormulaC13H12ClN3O4S
Molecular Weight341.78 g/mol
Exact Mass341.02
IUPAC NameN-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
SMILESCN(c1ccc(Cl)nn1)S(=O)(=O)c1cccc2c1OCCO2
InChIInChI=1S/C13H12ClN3O4S/c1-17(12-6-5-11(14)15-16-12)22(18,19)10-4-2-3-9-13(10)21-8-7-20-9/h2-6H,7-8H2,1H3
InChIKeyWZAJYGDHTIDFRR-UHFFFAOYSA-N
XLogP1.73
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide (CID 167764282) is N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide is CN(c1ccc(Cl)nn1)S(=O)(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide?
The InChIKey is WZAJYGDHTIDFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4S/c1-17(12-6-5-11(14)15-16-12)22(18,19)10-4-2-3-9-13(10)21-8-7-20-9/h2-6H,7-8H2,1H3.
What are the key properties of N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide?
N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide has a molecular weight of 341.78 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide is sourced from PubChem (CID 167764282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).