2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide

C18H18Cl2N6O2S — CID 122326772

IUPAC2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cc(Cl)ccc3Cl)nn2)nc1
InChIInChI=1S/C18H18Cl2N6O2S/c1-12-2-5-16(22-11-12)24-18-7-6-17(25-26-18)21-8-9-23-29(27,28)15-10-13(19)3-4-14(15)20/h2-7,10-11,23H,8-9H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyRNDHVLIUECMAFI-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.62
Rot. Bonds8

About 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide

2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 122326772) has the molecular formula C18H18Cl2N6O2S and a molecular weight of 453.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID122326772
Molecular FormulaC18H18Cl2N6O2S
Molecular Weight453.36 g/mol
Exact Mass452.06
IUPAC Name2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cc(Cl)ccc3Cl)nn2)nc1
InChIInChI=1S/C18H18Cl2N6O2S/c1-12-2-5-16(22-11-12)24-18-7-6-17(25-26-18)21-8-9-23-29(27,28)15-10-13(19)3-4-14(15)20/h2-7,10-11,23H,8-9H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyRNDHVLIUECMAFI-UHFFFAOYSA-N
XLogP3.62
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]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

2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326776
3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 70702646
4-methoxy-3-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326780
5-chloro-2-methyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289230
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122327044
N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122327041
3-chloro-2-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122288723
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122327016
4-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064548
3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326910
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122293202
3,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064606

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide (CID 122326772) is 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide is Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cc(Cl)ccc3Cl)nn2)nc1.
What is the InChIKey of 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is RNDHVLIUECMAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O2S/c1-12-2-5-16(22-11-12)24-18-7-6-17(25-26-18)21-8-9-23-29(27,28)15-10-13(19)3-4-14(15)20/h2-7,10-11,23H,8-9H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 453.36 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122326772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).