2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide

C18H20Cl2N6O2S — CID 122293208

IUPAC2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3cc(C)c(Cl)cc3Cl)nn2)n1
InChIInChI=1S/C18H20Cl2N6O2S/c1-11-8-16(15(20)10-14(11)19)29(27,28)22-7-6-21-17-4-5-18(24-23-17)26-13(3)9-12(2)25-26/h4-5,8-10,22H,6-7H2,1-3H3,(H,21,23)
InChIKeyDBICOFCOQQBXFM-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.28
Rot. Bonds7

About 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide (PubChem CID 122293208) has the molecular formula C18H20Cl2N6O2S and a molecular weight of 455.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide
PubChem CID122293208
Molecular FormulaC18H20Cl2N6O2S
Molecular Weight455.37 g/mol
Exact Mass454.07
IUPAC Name2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3cc(C)c(Cl)cc3Cl)nn2)n1
InChIInChI=1S/C18H20Cl2N6O2S/c1-11-8-16(15(20)10-14(11)19)29(27,28)22-7-6-21-17-4-5-18(24-23-17)26-13(3)9-12(2)25-26/h4-5,8-10,22H,6-7H2,1-3H3,(H,21,23)
InChIKeyDBICOFCOQQBXFM-UHFFFAOYSA-N
XLogP3.28
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 122293264
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122293202
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 56699508
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
3-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-fluorobenzenesulfonamide
CID 122293201
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122293227
N-[4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
CID 122293238
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 122293009
2-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122293263
N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122293252
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122293232
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122289740

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide (CID 122293208) is 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide is Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3cc(C)c(Cl)cc3Cl)nn2)n1.
What is the InChIKey of 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide?
The InChIKey is DBICOFCOQQBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N6O2S/c1-11-8-16(15(20)10-14(11)19)29(27,28)22-7-6-21-17-4-5-18(24-23-17)26-13(3)9-12(2)25-26/h4-5,8-10,22H,6-7H2,1-3H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide has a molecular weight of 455.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 122293208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).