3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

C16H13N7O2S — CID 44533015

IUPAC3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C16H13N7O2S/c17-26(24,25)12-4-1-3-11(9-12)21-16-18-8-6-14(22-16)13-10-20-23-15(13)5-2-7-19-23/h1-10H,(H2,17,24,25)(H,18,21,22)
InChIKeyPKOZUCYLSJPZEX-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.58
Rot. Bonds4

About 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 44533015) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID44533015
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C16H13N7O2S/c17-26(24,25)12-4-1-3-11(9-12)21-16-18-8-6-14(22-16)13-10-20-23-15(13)5-2-7-19-23/h1-10H,(H2,17,24,25)(H,18,21,22)
InChIKeyPKOZUCYLSJPZEX-UHFFFAOYSA-N
XLogP1.58
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 44533015) is 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1.
What is the InChIKey of 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is PKOZUCYLSJPZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c17-26(24,25)12-4-1-3-11(9-12)21-16-18-8-6-14(22-16)13-10-20-23-15(13)5-2-7-19-23/h1-10H,(H2,17,24,25)(H,18,21,22).
What are the key properties of 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 44533015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).