N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide

C15H10ClN5O2S — CID 167910715

IUPACN-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2nccc(Cl)c2c1)c1cnn2ncccc12
InChIInChI=1S/C15H10ClN5O2S/c16-12-5-7-17-13-4-3-10(8-11(12)13)20-24(22,23)15-9-19-21-14(15)2-1-6-18-21/h1-9,20H
InChIKeyJQHXIFGTSSUARM-UHFFFAOYSA-N
MW359.80 g/mol
LogP2.73
Rot. Bonds3

About N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide

N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide (PubChem CID 167910715) has the molecular formula C15H10ClN5O2S and a molecular weight of 359.80 g/mol. Its IUPAC name is N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide
PubChem CID167910715
Molecular FormulaC15H10ClN5O2S
Molecular Weight359.80 g/mol
Exact Mass359.02
IUPAC NameN-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2nccc(Cl)c2c1)c1cnn2ncccc12
InChIInChI=1S/C15H10ClN5O2S/c16-12-5-7-17-13-4-3-10(8-11(12)13)20-24(22,23)15-9-19-21-14(15)2-1-6-18-21/h1-9,20H
InChIKeyJQHXIFGTSSUARM-UHFFFAOYSA-N
XLogP2.73
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide?
The IUPAC name of N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide (CID 167910715) is N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide.
What is the SMILES notation for N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide?
The canonical SMILES for N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide is O=S(=O)(Nc1ccc2nccc(Cl)c2c1)c1cnn2ncccc12.
What is the InChIKey of N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide?
The InChIKey is JQHXIFGTSSUARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O2S/c16-12-5-7-17-13-4-3-10(8-11(12)13)20-24(22,23)15-9-19-21-14(15)2-1-6-18-21/h1-9,20H.
What are the key properties of N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide?
N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide has a molecular weight of 359.80 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroquinolin-6-yl)pyrazolo[1,5-b]pyridazine-3-sulfonamide is sourced from PubChem (CID 167910715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).