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

C23H21N7O2S — CID 122292428

IUPAC4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1nn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(C#N)cc4)cc3)nn2)c(C)c1C
InChIInChI=1S/C23H21N7O2S/c1-15-16(2)28-30(17(15)3)23-13-12-22(26-27-23)25-19-6-8-20(9-7-19)29-33(31,32)21-10-4-18(14-24)5-11-21/h4-13,29H,1-3H3,(H,25,26)
InChIKeyBFJUWCYYHQQOJH-UHFFFAOYSA-N
MW459.54 g/mol
LogP4.00
Rot. Bonds6

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

4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (PubChem CID 122292428) has the molecular formula C23H21N7O2S and a molecular weight of 459.54 g/mol. Its IUPAC name is 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
PubChem CID122292428
Molecular FormulaC23H21N7O2S
Molecular Weight459.54 g/mol
Exact Mass459.15
IUPAC Name4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1nn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(C#N)cc4)cc3)nn2)c(C)c1C
InChIInChI=1S/C23H21N7O2S/c1-15-16(2)28-30(17(15)3)23-13-12-22(26-27-23)25-19-6-8-20(9-7-19)29-33(31,32)21-10-4-18(14-24)5-11-21/h4-13,29H,1-3H3,(H,25,26)
InChIKeyBFJUWCYYHQQOJH-UHFFFAOYSA-N
XLogP4.00
TPSA125.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
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
2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292393
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122292418
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161
1-(4-ethylphenyl)-3-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
CID 56919860
4-cyano-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297534
4-cyano-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122316943
N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide
CID 70703876
5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide
CID 122292633

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (CID 122292428) is 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is Cc1nn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(C#N)cc4)cc3)nn2)c(C)c1C.
What is the InChIKey of 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is BFJUWCYYHQQOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2S/c1-15-16(2)28-30(17(15)3)23-13-12-22(26-27-23)25-19-6-8-20(9-7-19)29-33(31,32)21-10-4-18(14-24)5-11-21/h4-13,29H,1-3H3,(H,25,26).
What are the key properties of 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 459.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 122292428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).