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

C20H17ClN6O2S — CID 16802137

IUPAC3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)nn2)n1
InChIInChI=1S/C20H17ClN6O2S/c1-14-11-12-27(25-14)20-10-9-19(23-24-20)22-16-5-7-17(8-6-16)26-30(28,29)18-4-2-3-15(21)13-18/h2-13,26H,1H3,(H,22,23)
InChIKeyXOGOCHVVQSZMAW-UHFFFAOYSA-N
MW440.92 g/mol
LogP4.17
Rot. Bonds6

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

3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (PubChem CID 16802137) has the molecular formula C20H17ClN6O2S and a molecular weight of 440.92 g/mol. Its IUPAC name is 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
PubChem CID16802137
Molecular FormulaC20H17ClN6O2S
Molecular Weight440.92 g/mol
Exact Mass440.08
IUPAC Name3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)nn2)n1
InChIInChI=1S/C20H17ClN6O2S/c1-14-11-12-27(25-14)20-10-9-19(23-24-20)22-16-5-7-17(8-6-16)26-30(28,29)18-4-2-3-15(21)13-18/h2-13,26H,1H3,(H,22,23)
InChIKeyXOGOCHVVQSZMAW-UHFFFAOYSA-N
XLogP4.17
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802125
2-fluoro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802134
2,5-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802127
3-chloro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072896
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
3,4-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802107
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046777
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474827
3-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (CID 16802137) is 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is Cc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)nn2)n1.
What is the InChIKey of 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is XOGOCHVVQSZMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2S/c1-14-11-12-27(25-14)20-10-9-19(23-24-20)22-16-5-7-17(8-6-16)26-30(28,29)18-4-2-3-15(21)13-18/h2-13,26H,1H3,(H,22,23).
What are the key properties of 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 440.92 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 16802137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).