N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H20N6O2S — CID 113046261

IUPACN-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)nn2)c(C)c1
InChIInChI=1S/C17H20N6O2S/c1-10-5-6-14(11(2)9-10)18-15-7-8-16(22-21-15)23-26(24,25)17-12(3)19-20-13(17)4/h5-9H,1-4H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyRNNGYCBJPCRUAJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.98
Rot. Bonds5

About N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113046261) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113046261
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC NameN-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)nn2)c(C)c1
InChIInChI=1S/C17H20N6O2S/c1-10-5-6-14(11(2)9-10)18-15-7-8-16(22-21-15)23-26(24,25)17-12(3)19-20-13(17)4/h5-9H,1-4H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyRNNGYCBJPCRUAJ-UHFFFAOYSA-N
XLogP2.98
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide 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-(3-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113050025
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113040954
N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113039171
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041658
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113021926
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041814
N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26949775
3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122288738
3,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113044152
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113046261) is N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)nn2)c(C)c1.
What is the InChIKey of N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RNNGYCBJPCRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-10-5-6-14(11(2)9-10)18-15-7-8-16(22-21-15)23-26(24,25)17-12(3)19-20-13(17)4/h5-9H,1-4H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113046261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).