2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

C23H22Cl2N6O2S — CID 122292393

IUPAC2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N6O2S/c1-13-11-21(20(25)12-19(13)24)34(32,33)30-18-7-5-17(6-8-18)26-22-9-10-23(28-27-22)31-16(4)14(2)15(3)29-31/h5-12,30H,1-4H3,(H,26,27)
InChIKeyAYLGUZCQPFQLDT-UHFFFAOYSA-N
MW517.44 g/mol
LogP5.75
Rot. Bonds6

About 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (PubChem CID 122292393) has the molecular formula C23H22Cl2N6O2S and a molecular weight of 517.44 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
PubChem CID122292393
Molecular FormulaC23H22Cl2N6O2S
Molecular Weight517.44 g/mol
Exact Mass516.09
IUPAC Name2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N6O2S/c1-13-11-21(20(25)12-19(13)24)34(32,33)30-18-7-5-17(6-8-18)26-22-9-10-23(28-27-22)31-16(4)14(2)15(3)29-31/h5-12,30H,1-4H3,(H,26,27)
InChIKeyAYLGUZCQPFQLDT-UHFFFAOYSA-N
XLogP5.75
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.44
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-difluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292392
4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292428
3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292389
2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide
CID 122292415
N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122292418
2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide
CID 122293208
2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297485
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
N-[3-methyl-4-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]phenyl]acetamide
CID 122323971
2,5-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802127
2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122323705

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (CID 122292393) is 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is AYLGUZCQPFQLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O2S/c1-13-11-21(20(25)12-19(13)24)34(32,33)30-18-7-5-17(6-8-18)26-22-9-10-23(28-27-22)31-16(4)14(2)15(3)29-31/h5-12,30H,1-4H3,(H,26,27).
What are the key properties of 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 517.44 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 122292393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).