4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide

C13H14N6O2S — CID 156539573

IUPAC4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide
SMILESCn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)cnnc21
InChIInChI=1S/C13H14N6O2S/c1-19-13-11(7-17-19)12(8-16-18-13)15-6-9-2-4-10(5-3-9)22(14,20)21/h2-5,7-8H,6H2,1H3,(H,15,18)(H2,14,20,21)
InChIKeyKTSZXTGZAHISLQ-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.62
Rot. Bonds4

About 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide

4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 156539573) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID156539573
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC Name4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide
SMILESCn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)cnnc21
InChIInChI=1S/C13H14N6O2S/c1-19-13-11(7-17-19)12(8-16-18-13)15-6-9-2-4-10(5-3-9)22(14,20)21/h2-5,7-8H,6H2,1H3,(H,15,18)(H2,14,20,21)
InChIKeyKTSZXTGZAHISLQ-UHFFFAOYSA-N
XLogP0.62
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide (CID 156539573) is 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide is Cn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)cnnc21.
What is the InChIKey of 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is KTSZXTGZAHISLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c1-19-13-11(7-17-19)12(8-16-18-13)15-6-9-2-4-10(5-3-9)22(14,20)21/h2-5,7-8H,6H2,1H3,(H,15,18)(H2,14,20,21).
What are the key properties of 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide?
4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 156539573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).