3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide

C18H17ClN4O2S — CID 113046629

IUPAC3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nn2)c1C
InChIInChI=1S/C18H17ClN4O2S/c1-12-5-3-8-16(13(12)2)20-17-9-10-18(22-21-17)23-26(24,25)15-7-4-6-14(19)11-15/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyBSVUZDZIUNIBEE-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.29
Rot. Bonds5

About 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide

3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113046629) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113046629
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nn2)c1C
InChIInChI=1S/C18H17ClN4O2S/c1-12-5-3-8-16(13(12)2)20-17-9-10-18(22-21-17)23-26(24,25)15-7-4-6-14(19)11-15/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyBSVUZDZIUNIBEE-UHFFFAOYSA-N
XLogP4.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]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-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046608
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046777
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113047218
3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 177453725
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide (CID 113046629) is 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nn2)c1C.
What is the InChIKey of 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is BSVUZDZIUNIBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-12-5-3-8-16(13(12)2)20-17-9-10-18(22-21-17)23-26(24,25)15-7-4-6-14(19)11-15/h3-11H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide?
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113046629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).