2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

C22H22N6O2S — CID 16802125

IUPAC2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c(C)c1
InChIInChI=1S/C22H22N6O2S/c1-15-4-9-20(16(2)14-15)31(29,30)27-19-7-5-18(6-8-19)23-21-10-11-22(25-24-21)28-13-12-17(3)26-28/h4-14,27H,1-3H3,(H,23,24)
InChIKeyRCNWNGBYRBBLGM-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.13
Rot. Bonds6

About 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (PubChem CID 16802125) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
PubChem CID16802125
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c(C)c1
InChIInChI=1S/C22H22N6O2S/c1-15-4-9-20(16(2)14-15)31(29,30)27-19-7-5-18(6-8-19)23-21-10-11-22(25-24-21)28-13-12-17(3)26-28/h4-14,27H,1-3H3,(H,23,24)
InChIKeyRCNWNGBYRBBLGM-UHFFFAOYSA-N
XLogP4.13
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802127
2-fluoro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802134
3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802137
2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305103
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
3,4-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802107
1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
CID 16839232
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113020920
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
4-fluoro-2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297852
2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802116
2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292393

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (CID 16802125) is 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is RCNWNGBYRBBLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-15-4-9-20(16(2)14-15)31(29,30)27-19-7-5-18(6-8-19)23-21-10-11-22(25-24-21)28-13-12-17(3)26-28/h4-14,27H,1-3H3,(H,23,24).
What are the key properties of 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 434.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 16802125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).